adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid

C162H265NO28S — CID 157346423

IUPACadamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C12CC3CC(CC(C3)C1)C2.O=C(O)C1C2CC3CC(C2)CC1C3.O=C(O)C1CC2CCC1C2.O=C(O)C1CCCCCCCCC1.O=C(O)C1CCCCCCCCCC1.O=C(O)C1CCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCCCC1.O=C(O)CC12CC3CC(CC(C3)C1)C2.O=C(O)CC1C2CC3CC(C2)CC1C3.O=C(O)CC1CC2CCC1C2.O=C(O)CC1CCCCC1.O=C(O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H30O2.C15H28O2.C14H26O2.C13H24O2.2C12H18O2.C12H22O2.2C11H16O2.C11H20O2.C10H7NO2S.C9H14O2.C8H12O2.C8H14O2/c17-16(18)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15;16-15(17)14-12-10-8-6-4-2-1-3-5-7-9-11-13-14;15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12-13;14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12;13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14)6-11-9-2-7-1-8(4-9)5-10(11)3-7;13-12(14)11-9-7-5-3-1-2-4-6-8-10-11;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6;12-11(13)10-8-6-4-2-1-3-5-7-9-10;12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7;10-9(11)5-8-4-6-1-2-7(8)3-6;9-8(10)7-4-5-1-2-6(7)3-5;9-8(10)6-7-4-2-1-3-5-7/h15H,1-14H2,(H,17,18);14H,1-13H2,(H,16,17);13H,1-12H2,(H,15,16);12H,1-11H2,(H,14,15);8-10H,1-7H2,(H,13,14);7-11H,1-6H2,(H,13,14);11H,1-10H2,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);10H,1-9H2,(H,12,13);1-6H,(H,12,13);6-8H,1-5H2,(H,10,11);5-7H,1-4H2,(H,9,10);7H,1-6H2,(H,9,10)
InChIKeyBHAHXVRAPQMKKJ-UHFFFAOYSA-N
MW2706.95 g/mol
LogP42.72
Rot. Bonds19

About adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid

adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 157346423) has the molecular formula C162H265NO28S and a molecular weight of 2706.95 g/mol. Its IUPAC name is adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Nameadamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID157346423
Molecular FormulaC162H265NO28S
Molecular Weight2706.95 g/mol
Exact Mass2704.91
IUPAC Nameadamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C12CC3CC(CC(C3)C1)C2.O=C(O)C1C2CC3CC(C2)CC1C3.O=C(O)C1CC2CCC1C2.O=C(O)C1CCCCCCCCC1.O=C(O)C1CCCCCCCCCC1.O=C(O)C1CCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCCCC1.O=C(O)CC12CC3CC(CC(C3)C1)C2.O=C(O)CC1C2CC3CC(C2)CC1C3.O=C(O)CC1CC2CCC1C2.O=C(O)CC1CCCCC1.O=C(O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H30O2.C15H28O2.C14H26O2.C13H24O2.2C12H18O2.C12H22O2.2C11H16O2.C11H20O2.C10H7NO2S.C9H14O2.C8H12O2.C8H14O2/c17-16(18)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15;16-15(17)14-12-10-8-6-4-2-1-3-5-7-9-11-13-14;15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12-13;14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12;13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14)6-11-9-2-7-1-8(4-9)5-10(11)3-7;13-12(14)11-9-7-5-3-1-2-4-6-8-10-11;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6;12-11(13)10-8-6-4-2-1-3-5-7-9-10;12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7;10-9(11)5-8-4-6-1-2-7(8)3-6;9-8(10)7-4-5-1-2-6(7)3-5;9-8(10)6-7-4-2-1-3-5-7/h15H,1-14H2,(H,17,18);14H,1-13H2,(H,16,17);13H,1-12H2,(H,15,16);12H,1-11H2,(H,14,15);8-10H,1-7H2,(H,13,14);7-11H,1-6H2,(H,13,14);11H,1-10H2,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);10H,1-9H2,(H,12,13);1-6H,(H,12,13);6-8H,1-5H2,(H,10,11);5-7H,1-4H2,(H,9,10);7H,1-6H2,(H,9,10)
InChIKeyBHAHXVRAPQMKKJ-UHFFFAOYSA-N
XLogP42.72
TPSA535.09 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002706.95
LogP ≤ 542.72
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(1-Carboxy-8-tricyclo[5.3.1.04,9]undecanyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 155021776

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid (CID 157346423) is adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)C12CC3CC(CC(C3)C1)C2.O=C(O)C1C2CC3CC(C2)CC1C3.O=C(O)C1CC2CCC1C2.O=C(O)C1CCCCCCCCC1.O=C(O)C1CCCCCCCCCC1.O=C(O)C1CCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCCC1.O=C(O)C1CCCCCCCCCCCCCC1.O=C(O)CC12CC3CC(CC(C3)C1)C2.O=C(O)CC1C2CC3CC(C2)CC1C3.O=C(O)CC1CC2CCC1C2.O=C(O)CC1CCCCC1.O=C(O)c1csc(-c2ccccc2)n1.
What is the InChIKey of adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is BHAHXVRAPQMKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C15H28O2.C14H26O2.C13H24O2.2C12H18O2.C12H22O2.2C11H16O2.C11H20O2.C10H7NO2S.C9H14O2.C8H12O2.C8H14O2/c17-16(18)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15;16-15(17)14-12-10-8-6-4-2-1-3-5-7-9-11-13-14;15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12-13;14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12;13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14)6-11-9-2-7-1-8(4-9)5-10(11)3-7;13-12(14)11-9-7-5-3-1-2-4-6-8-10-11;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6;12-11(13)10-8-6-4-2-1-3-5-7-9-10;12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7;10-9(11)5-8-4-6-1-2-7(8)3-6;9-8(10)7-4-5-1-2-6(7)3-5;9-8(10)6-7-4-2-1-3-5-7/h15H,1-14H2,(H,17,18);14H,1-13H2,(H,16,17);13H,1-12H2,(H,15,16);12H,1-11H2,(H,14,15);8-10H,1-7H2,(H,13,14);7-11H,1-6H2,(H,13,14);11H,1-10H2,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);10H,1-9H2,(H,12,13);1-6H,(H,12,13);6-8H,1-5H2,(H,10,11);5-7H,1-4H2,(H,9,10);7H,1-6H2,(H,9,10).
What are the key properties of adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid?
adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 2706.95 g/mol, XLogP of 42.72, 19 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylic acid;adamantane-2-carboxylic acid;2-(1-adamantyl)acetic acid;2-(2-adamantyl)acetic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)acetic acid;cyclodecanecarboxylic acid;cyclododecanecarboxylic acid;2-cyclohexylacetic acid;cyclopentadecanecarboxylic acid;cyclotetradecanecarboxylic acid;cyclotridecanecarboxylic acid;cycloundecanecarboxylic acid;2-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 157346423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).