4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid

C16H21ClN2O4 — CID 119357738

IUPAC4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H21ClN2O4/c1-10(14(22)19-16(2,3)9-8-13(20)21)18-15(23)11-4-6-12(17)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyRYFHCGPCEHROFN-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.22
Rot. Bonds7

About 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid

4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid (PubChem CID 119357738) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
PubChem CID119357738
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H21ClN2O4/c1-10(14(22)19-16(2,3)9-8-13(20)21)18-15(23)11-4-6-12(17)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyRYFHCGPCEHROFN-UHFFFAOYSA-N
XLogP2.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[2-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 62042861
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 62041969
4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 119203778
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
4-chloro-N-[1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119503902
4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119203959
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
4-[2-(3,4-dichlorophenyl)propanoylamino]-4-methylpentanoic acid
CID 119204564
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid (CID 119357738) is 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
The InChIKey is RYFHCGPCEHROFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10(14(22)19-16(2,3)9-8-13(20)21)18-15(23)11-4-6-12(17)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid?
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid has a molecular weight of 340.81 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119357738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).