cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid

C15H21NO3 — CID 93366506

IUPACcis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H21NO3/c17-14(11-6-12(11)15(18)19)16-13-9-2-7-1-8(4-9)5-10(13)3-7/h7-13H,1-6H2,(H,16,17)(H,18,19)/t7?,8?,9?,10?,11-,12+,13?/m1/s1
InChIKeyWONLLDQIDUUWPO-PYGSVXHNSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds3

About cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 93366506) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID93366506
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namecis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H21NO3/c17-14(11-6-12(11)15(18)19)16-13-9-2-7-1-8(4-9)5-10(13)3-7/h7-13H,1-6H2,(H,16,17)(H,18,19)/t7?,8?,9?,10?,11-,12+,13?/m1/s1
InChIKeyWONLLDQIDUUWPO-PYGSVXHNSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
CID 102687991
N-(2-adamantyl)-2-aminocyclopentane-1-carboxamide
CID 64824917
(1R,2S,3R,4S)-3-(2-adamantylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 40635398
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
CID 8990556
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
(2S)-N-(2-adamantyl)piperidine-2-carboxamide
CID 104913047
N-(2-adamantyl)thiomorpholine-3-carboxamide
CID 82909198
N-(2-adamantyl)-3-oxobutanamide
CID 879553

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid (CID 93366506) is cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is WONLLDQIDUUWPO-PYGSVXHNSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(11-6-12(11)15(18)19)16-13-9-2-7-1-8(4-9)5-10(13)3-7/h7-13H,1-6H2,(H,16,17)(H,18,19)/t7?,8?,9?,10?,11-,12+,13?/m1/s1.
What are the key properties of cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).