3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid

C12H19NO3 — CID 60845034

IUPAC3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CCCC1)C1CC1
InChIInChI=1S/C12H19NO3/c14-11(15)7-8-13(10-5-6-10)12(16)9-3-1-2-4-9/h9-10H,1-8H2,(H,14,15)
InChIKeyRQGJCHRCCZHANT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds5

About 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid

3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid (PubChem CID 60845034) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
PubChem CID60845034
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CCCC1)C1CC1
InChIInChI=1S/C12H19NO3/c14-11(15)7-8-13(10-5-6-10)12(16)9-3-1-2-4-9/h9-10H,1-8H2,(H,14,15)
InChIKeyRQGJCHRCCZHANT-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
3-[cyclopropyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 60845046
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid
CID 106892333

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid (CID 60845034) is 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid is O=C(O)CCN(C(=O)C1CCCC1)C1CC1.
What is the InChIKey of 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid?
The InChIKey is RQGJCHRCCZHANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(15)7-8-13(10-5-6-10)12(16)9-3-1-2-4-9/h9-10H,1-8H2,(H,14,15).
What are the key properties of 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid?
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 60845034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).