(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate

C15H19ClN2O4 — CID 2455107

IUPAC(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O
InChIInChI=1S/C15H19ClN2O4/c1-3-9(2)13(15(21)22-8-12(17)19)18-14(20)10-4-6-11(16)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H2,17,19)(H,18,20)/t9-,13-/m1/s1
InChIKeyJGGPRYOPSJKDNW-NOZJJQNGSA-N
MW326.78 g/mol
LogP1.51
Rot. Bonds7

About (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate

(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate (PubChem CID 2455107) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
PubChem CID2455107
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O
InChIInChI=1S/C15H19ClN2O4/c1-3-9(2)13(15(21)22-8-12(17)19)18-14(20)10-4-6-11(16)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H2,17,19)(H,18,20)/t9-,13-/m1/s1
InChIKeyJGGPRYOPSJKDNW-NOZJJQNGSA-N
XLogP1.51
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate with MolForge

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 78765173
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 55321792
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 55321812
[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 31119569
(4-methoxyphenyl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16578612
[2-(furan-2-ylmethylamino)-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 55926693
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2480804
(4-nitrophenyl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 27917791
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate (CID 2455107) is (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate is CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
The InChIKey is JGGPRYOPSJKDNW-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-3-9(2)13(15(21)22-8-12(17)19)18-14(20)10-4-6-11(16)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H2,17,19)(H,18,20)/t9-,13-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate has a molecular weight of 326.78 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 2455107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).