2-[adamantane-2-carbonyl(propyl)amino]acetic acid

C16H25NO3 — CID 81096544

IUPAC2-[adamantane-2-carbonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO3/c1-2-3-17(9-14(18)19)16(20)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyBPDBKHFDVKJIQR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds5

About 2-[adamantane-2-carbonyl(propyl)amino]acetic acid

2-[adamantane-2-carbonyl(propyl)amino]acetic acid (PubChem CID 81096544) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[adamantane-2-carbonyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[adamantane-2-carbonyl(propyl)amino]acetic acid
PubChem CID81096544
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[adamantane-2-carbonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO3/c1-2-3-17(9-14(18)19)16(20)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyBPDBKHFDVKJIQR-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[propyl-[(1R,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99851542
N-butyl-N-ethyladamantane-2-carboxamide
CID 86910306
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[cyclopent-3-ene-1-carbonyl(propyl)amino]acetic acid
CID 64767264
4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
CID 78980362
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
CID 103925589
N-butyl-N-(1,1-dioxothiolan-3-yl)adamantane-2-carboxamide
CID 134026791
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
CID 119205251
1-(2-adamantyl)butan-1-one
CID 114962265
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567

Frequently Asked Questions

What is the IUPAC name of 2-[adamantane-2-carbonyl(propyl)amino]acetic acid?
The IUPAC name of 2-[adamantane-2-carbonyl(propyl)amino]acetic acid (CID 81096544) is 2-[adamantane-2-carbonyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[adamantane-2-carbonyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[adamantane-2-carbonyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[adamantane-2-carbonyl(propyl)amino]acetic acid?
The InChIKey is BPDBKHFDVKJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-17(9-14(18)19)16(20)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[adamantane-2-carbonyl(propyl)amino]acetic acid?
2-[adamantane-2-carbonyl(propyl)amino]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[adamantane-2-carbonyl(propyl)amino]acetic acid is sourced from PubChem (CID 81096544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).