3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid

C15H26N2O4 — CID 62820694

IUPAC3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
SMILESCCN(C(=O)CCNC(=O)C1CCCC1)C(C)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-17(11(2)10-14(19)20)13(18)8-9-16-15(21)12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyVAFGXEFCGBPWKR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.39
Rot. Bonds8

About 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid

3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid (PubChem CID 62820694) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
PubChem CID62820694
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
SMILESCCN(C(=O)CCNC(=O)C1CCCC1)C(C)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-17(11(2)10-14(19)20)13(18)8-9-16-15(21)12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyVAFGXEFCGBPWKR-UHFFFAOYSA-N
XLogP1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide
CID 96504389
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide
CID 71884631
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
N-propylcyclooctanecarboxamide
CID 65022755
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid?
The IUPAC name of 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid (CID 62820694) is 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid.
What is the SMILES notation for 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid?
The canonical SMILES for 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid is CCN(C(=O)CCNC(=O)C1CCCC1)C(C)CC(=O)O.
What is the InChIKey of 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid?
The InChIKey is VAFGXEFCGBPWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-17(11(2)10-14(19)20)13(18)8-9-16-15(21)12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid?
3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid is sourced from PubChem (CID 62820694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).