4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid

C14H24N2O4 — CID 81062987

IUPAC4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)CCNC(=O)C1CCCC1)CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-10(8-13(18)19)9-16-12(17)6-7-15-14(20)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyYKTRRUCFPRDCOH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds8

About 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid

4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid (PubChem CID 81062987) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
PubChem CID81062987
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)CCNC(=O)C1CCCC1)CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-10(8-13(18)19)9-16-12(17)6-7-15-14(20)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyYKTRRUCFPRDCOH-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
CID 65219035
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 81070679
3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
CID 62820694
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid (CID 81062987) is 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid is CC(CNC(=O)CCNC(=O)C1CCCC1)CC(=O)O.
What is the InChIKey of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
The InChIKey is YKTRRUCFPRDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(8-13(18)19)9-16-12(17)6-7-15-14(20)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid?
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 81062987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).