2-[(3-cyclopropylcyclohexyl)amino]propanoic acid

C12H21NO2 — CID 64624206

IUPAC2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
SMILESCC(NC1CCCC(C2CC2)C1)C(=O)O
InChIInChI=1S/C12H21NO2/c1-8(12(14)15)13-11-4-2-3-10(7-11)9-5-6-9/h8-11,13H,2-7H2,1H3,(H,14,15)
InChIKeyJEVYSDWEIGJICI-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.02
Rot. Bonds4

About 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid

2-[(3-cyclopropylcyclohexyl)amino]propanoic acid (PubChem CID 64624206) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
PubChem CID64624206
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
SMILESCC(NC1CCCC(C2CC2)C1)C(=O)O
InChIInChI=1S/C12H21NO2/c1-8(12(14)15)13-11-4-2-3-10(7-11)9-5-6-9/h8-11,13H,2-7H2,1H3,(H,14,15)
InChIKeyJEVYSDWEIGJICI-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
2-[(3-cyclopropylcyclohexyl)amino]propanamide
CID 64595045
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide
CID 43227053
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901
2-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-5-ylamino)-2-phosphonoacetic acid
CID 154526708
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
3-cyclopropyl-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 64623783

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid (CID 64624206) is 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid is CC(NC1CCCC(C2CC2)C1)C(=O)O.
What is the InChIKey of 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
The InChIKey is JEVYSDWEIGJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(12(14)15)13-11-4-2-3-10(7-11)9-5-6-9/h8-11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
2-[(3-cyclopropylcyclohexyl)amino]propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 64624206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).