1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide

C19H25ClN4O3 — CID 167001137

IUPAC1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide
SMILES[H]/N=C/C(=O)CC[C@H](NC(=O)C1(N)CCCC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O3/c20-14-5-3-13(4-6-14)12-23-17(26)16(8-7-15(25)11-21)24-18(27)19(22)9-1-2-10-19/h3-6,11,16,21H,1-2,7-10,12,22H2,(H,23,26)(H,24,27)/b21-11+/t16-/m0/s1
InChIKeyOTBJNAJEJUTYAG-XYHOIZSOSA-N
MW392.89 g/mol
LogP1.71
Rot. Bonds9

About 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide

1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide (PubChem CID 167001137) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide
PubChem CID167001137
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide
SMILES[H]/N=C/C(=O)CC[C@H](NC(=O)C1(N)CCCC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O3/c20-14-5-3-13(4-6-14)12-23-17(26)16(8-7-15(25)11-21)24-18(27)19(22)9-1-2-10-19/h3-6,11,16,21H,1-2,7-10,12,22H2,(H,23,26)(H,24,27)/b21-11+/t16-/m0/s1
InChIKeyOTBJNAJEJUTYAG-XYHOIZSOSA-N
XLogP1.71
TPSA125.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide (CID 167001137) is 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide is [H]/N=C/C(=O)CC[C@H](NC(=O)C1(N)CCCC1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is OTBJNAJEJUTYAG-XYHOIZSOSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c20-14-5-3-13(4-6-14)12-23-17(26)16(8-7-15(25)11-21)24-18(27)19(22)9-1-2-10-19/h3-6,11,16,21H,1-2,7-10,12,22H2,(H,23,26)(H,24,27)/b21-11+/t16-/m0/s1.
What are the key properties of 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 1.71, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2S)-1-[(4-chlorophenyl)methylamino]-6-imino-1,5-dioxohexan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 167001137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).