2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid

C15H26N2O4 — CID 43170171

IUPAC2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10(2)9-12(15(20)21)17-13(18)7-8-16-14(19)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyOYGQKBZXOPFAPA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds8

About 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid

2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 43170171) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID43170171
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10(2)9-12(15(20)21)17-13(18)7-8-16-14(19)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyOYGQKBZXOPFAPA-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
CID 81076784
(2S)-4-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pentanoic acid
CID 61154993
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
CID 119363720
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid (CID 43170171) is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)CCNC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is OYGQKBZXOPFAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)9-12(15(20)21)17-13(18)7-8-16-14(19)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid?
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 43170171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).