2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid

C12H20N2O4 — CID 119225683

IUPAC2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7(10(15)14-8(2)12(17)18)13-11(16)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyAKQQQOJXPOCKON-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.27
Rot. Bonds5

About 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid

2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid (PubChem CID 119225683) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
PubChem CID119225683
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7(10(15)14-8(2)12(17)18)13-11(16)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyAKQQQOJXPOCKON-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
CID 54371595
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
CID 119348545
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid (CID 119225683) is 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid is CC(NC(=O)C(C)NC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid?
The InChIKey is AKQQQOJXPOCKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(10(15)14-8(2)12(17)18)13-11(16)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid?
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 119225683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).