2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid

C15H26N2O4 — CID 119212075

IUPAC2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-9(2)12(15(20)21)17-13(18)10(3)16-14(19)11-7-5-6-8-11/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyLLKFJGMMQOOSTA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds7

About 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid

2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid (PubChem CID 119212075) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
PubChem CID119212075
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-9(2)12(15(20)21)17-13(18)10(3)16-14(19)11-7-5-6-8-11/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyLLKFJGMMQOOSTA-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
(2S,3S)-3-methyl-2-(thiane-4-carbonylamino)pentanoic acid
CID 110837216
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-3-methylpentanoic acid
CID 18742710

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid (CID 119212075) is 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid is CCC(C)C(NC(=O)C(C)NC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid?
The InChIKey is LLKFJGMMQOOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-9(2)12(15(20)21)17-13(18)10(3)16-14(19)11-7-5-6-8-11/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid?
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 119212075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).