2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide

C18H21N3O3 — CID 7126166

IUPAC2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide
SMILESCC(=O)C(C(=O)Nc1ccccc1)C1([C@H](C#N)C(N)=O)CCCC1
InChIInChI=1S/C18H21N3O3/c1-12(22)15(17(24)21-13-7-3-2-4-8-13)18(9-5-6-10-18)14(11-19)16(20)23/h2-4,7-8,14-15H,5-6,9-10H2,1H3,(H2,20,23)(H,21,24)/t14-,15?/m1/s1
InChIKeyIHBCPLJMZSNGLG-GICMACPYSA-N
MW327.38 g/mol
LogP2.02
Rot. Bonds6

About 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide

2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide (PubChem CID 7126166) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide
PubChem CID7126166
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide
SMILESCC(=O)C(C(=O)Nc1ccccc1)C1([C@H](C#N)C(N)=O)CCCC1
InChIInChI=1S/C18H21N3O3/c1-12(22)15(17(24)21-13-7-3-2-4-8-13)18(9-5-6-10-18)14(11-19)16(20)23/h2-4,7-8,14-15H,5-6,9-10H2,1H3,(H2,20,23)(H,21,24)/t14-,15?/m1/s1
InChIKeyIHBCPLJMZSNGLG-GICMACPYSA-N
XLogP2.02
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide?
The IUPAC name of 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide (CID 7126166) is 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide.
What is the SMILES notation for 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide?
The canonical SMILES for 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide is CC(=O)C(C(=O)Nc1ccccc1)C1([C@H](C#N)C(N)=O)CCCC1.
What is the InChIKey of 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide?
The InChIKey is IHBCPLJMZSNGLG-GICMACPYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(22)15(17(24)21-13-7-3-2-4-8-13)18(9-5-6-10-18)14(11-19)16(20)23/h2-4,7-8,14-15H,5-6,9-10H2,1H3,(H2,20,23)(H,21,24)/t14-,15?/m1/s1.
What are the key properties of 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide?
2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide has a molecular weight of 327.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-2-amino-1-cyano-2-oxoethyl]cyclopentyl]-3-oxo-N-phenylbutanamide is sourced from PubChem (CID 7126166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).