2-[(4-methylcyclohexyl)amino]propanoic acid

C10H19NO2 — CID 23221764

IUPAC2-[(4-methylcyclohexyl)amino]propanoic acid
SMILESCC1CCC(NC(C)C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-9(6-4-7)11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQMGRDLAMCOAEDR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds3

About 2-[(4-methylcyclohexyl)amino]propanoic acid

2-[(4-methylcyclohexyl)amino]propanoic acid (PubChem CID 23221764) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)amino]propanoic acid
PubChem CID23221764
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(4-methylcyclohexyl)amino]propanoic acid
SMILESCC1CCC(NC(C)C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-9(6-4-7)11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQMGRDLAMCOAEDR-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(2R)-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]propanamide
CID 92666114
2-[(4-pentylcyclohexyl)amino]propanoic acid
CID 174627181
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
(2S)-2-(cyclopropylamino)propanamide
CID 28835909
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 146679870
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-[(4-methylcyclohexyl)amino]propanoic acid (CID 23221764) is 2-[(4-methylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methylcyclohexyl)amino]propanoic acid is CC1CCC(NC(C)C(=O)O)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)amino]propanoic acid?
The InChIKey is QMGRDLAMCOAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-5-9(6-4-7)11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(4-methylcyclohexyl)amino]propanoic acid?
2-[(4-methylcyclohexyl)amino]propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 23221764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).