2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

C12H19N3O2 — CID 174591742

IUPAC2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCN(C1CCCC1)C(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-15(10-4-2-3-5-10)11(12(16)17)6-9-7-13-8-14-9/h7-8,10-11H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeySVCBXCQIZKYAIS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds5

About 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 174591742) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID174591742
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCN(C1CCCC1)C(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-15(10-4-2-3-5-10)11(12(16)17)6-9-7-13-8-14-9/h7-8,10-11H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeySVCBXCQIZKYAIS-UHFFFAOYSA-N
XLogP1.28
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-cyclohexylethyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 101076946
2-[fluoro(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 88514464
2-[[cyclobutyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104873581
(2S)-3-(1H-imidazol-5-yl)-2-[methyl(2-oxopropanoyl)amino]propanoic acid
CID 66780464
(2S)-2-[acetyl(amino)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 173270920
(2S)-3-(1H-imidazol-5-yl)-2-[methyl(phosphonomethyl)amino]propanoic acid
CID 25153776
2-[[cyclopropyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61196004
(2S)-2-[cyclopentyl(methyl)amino]-3-(4-methylphenyl)propanoic acid
CID 175818830
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 167431123
(2S)-2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 92860744
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
CID 86580368

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 174591742) is 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is CN(C1CCCC1)C(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is SVCBXCQIZKYAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(10-4-2-3-5-10)11(12(16)17)6-9-7-13-8-14-9/h7-8,10-11H,2-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 174591742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).