2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid

C15H26N2O4 — CID 65219035

IUPAC2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-5-12(15(20)21)10-17-13(18)8-9-16-14(19)11-6-3-4-7-11/h11-12H,2-10H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyZFZPMBACIIPRLK-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds9

About 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid

2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid (PubChem CID 65219035) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
PubChem CID65219035
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-5-12(15(20)21)10-17-13(18)8-9-16-14(19)11-6-3-4-7-11/h11-12H,2-10H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyZFZPMBACIIPRLK-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
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

3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
N-propylcyclooctanecarboxamide
CID 65022755
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid (CID 65219035) is 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid is CCCC(CNC(=O)CCNC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid?
The InChIKey is ZFZPMBACIIPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-5-12(15(20)21)10-17-13(18)8-9-16-14(19)11-6-3-4-7-11/h11-12H,2-10H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid?
2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65219035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).