2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid

C15H23NO3 — CID 113402725

IUPAC2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C12CC3CC(CC(C)(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9(12(17)18)16-13(19)15-6-10-3-11(7-15)5-14(2,4-10)8-15/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNPSGFDFVRSDIBS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds3

About 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid

2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid (PubChem CID 113402725) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
PubChem CID113402725
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C12CC3CC(CC(C)(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9(12(17)18)16-13(19)15-6-10-3-11(7-15)5-14(2,4-10)8-15/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNPSGFDFVRSDIBS-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
N-(1-chloro-4-methylpentan-3-yl)-3-methyladamantane-1-carboxamide
CID 106354648
2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 6591742
(2S)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 2133286
N-(1-chloro-3-methoxypropan-2-yl)-3-methyladamantane-1-carboxamide
CID 106182954
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80752979
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid (CID 113402725) is 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid is CC(NC(=O)C12CC3CC(CC(C)(C3)C1)C2)C(=O)O.
What is the InChIKey of 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid?
The InChIKey is NPSGFDFVRSDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(12(17)18)16-13(19)15-6-10-3-11(7-15)5-14(2,4-10)8-15/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid?
2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 113402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).