5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid

C17H23ClN2O4 — CID 67832580

IUPAC5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid
SMILESCCCCN(C)C(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O4/c1-3-4-10-20(2)17(24)14(8-9-15(21)22)19-16(23)12-6-5-7-13(18)11-12/h5-7,11,14H,3-4,8-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyLYDMWQMCMACHRS-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.56
Rot. Bonds9

About 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid

5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid (PubChem CID 67832580) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid
PubChem CID67832580
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid
SMILESCCCCN(C)C(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O4/c1-3-4-10-20(2)17(24)14(8-9-15(21)22)19-16(23)12-6-5-7-13(18)11-12/h5-7,11,14H,3-4,8-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyLYDMWQMCMACHRS-UHFFFAOYSA-N
XLogP2.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic 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

(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
(4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
CID 3037347
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[[3-(dimethylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120614981
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid (CID 67832580) is 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid is CCCCN(C)C(=O)C(CCC(=O)O)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is LYDMWQMCMACHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-3-4-10-20(2)17(24)14(8-9-15(21)22)19-16(23)12-6-5-7-13(18)11-12/h5-7,11,14H,3-4,8-10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid?
5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 354.83 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 67832580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).