2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid

C15H19ClN2O4 — CID 119171288

IUPAC2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)O
InChIInChI=1S/C15H19ClN2O4/c1-3-9(2)13(15(22)17-8-12(19)20)18-14(21)10-4-6-11(16)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyUBXKQIJAMZXTOP-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.69
Rot. Bonds7

About 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid

2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid (PubChem CID 119171288) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
PubChem CID119171288
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)O
InChIInChI=1S/C15H19ClN2O4/c1-3-9(2)13(15(22)17-8-12(19)20)18-14(21)10-4-6-11(16)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyUBXKQIJAMZXTOP-UHFFFAOYSA-N
XLogP1.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide
CID 35352443
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
4-chloro-N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78796642
4-chloro-N-[(2S,3S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24539398
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
4-chloro-N-[(2R,3R)-1-(4-cyanoanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 2523193
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2455107
4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
CID 119449447

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid (CID 119171288) is 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid?
The InChIKey is UBXKQIJAMZXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-3-9(2)13(15(22)17-8-12(19)20)18-14(21)10-4-6-11(16)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid?
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid has a molecular weight of 326.78 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 119171288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).