2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid

C11H19NO3 — CID 21354705

IUPAC2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1(C)CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(9(13)14)12-10(15)11(2)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyIEBYKPZQSPRVCD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds3

About 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid

2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid (PubChem CID 21354705) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
PubChem CID21354705
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1(C)CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(9(13)14)12-10(15)11(2)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyIEBYKPZQSPRVCD-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydrohippurate
CID 147412
N-[(3,5,7-trimethyl-1-adamantyl)carbonyl]alanine
CID 2882015
2-(Cyclohexylformamido)-3-methylbutanoic acid
CID 2958090
2-[(1-Adamantylacetyl)amino]propanoic acid
CID 2770857
2-[(1-Adamantylacetyl)amino]-3-methylbutanoic acid
CID 3241135
2-[(4-Hexylcyclohexyl)formamido]-3-methylbutanoic acid
CID 15987950
(S)-2-((R)-2-Cyclohexylmethyl-3-hydroxycarbamoyl-propionylamino)-propionic acid
CID 10447524
N-(Hydroxy(1-methyl-4-(4-methylpentyl)cyclohexyl)methylidene)glycine
CID 3053407
2-[(1-Adamantylcarbonyl)amino]-3-methylbutanoic acid
CID 2999992
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
N-Cyclohexanoylleucine
CID 129440
N-(cyclohexylcarbonyl)-D-alanine
CID 1538555

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid (CID 21354705) is 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid is CC(NC(=O)C1(C)CCCCC1)C(=O)O.
What is the InChIKey of 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid?
The InChIKey is IEBYKPZQSPRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(9(13)14)12-10(15)11(2)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid?
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 21354705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).