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

C17H21ClN2O5 — CID 2128639

IUPAC(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O5/c1-10(2)8-14(17(24)25-9-15(22)19-11(3)21)20-16(23)12-4-6-13(18)7-5-12/h4-7,10,14H,8-9H2,1-3H3,(H,20,23)(H,19,21,22)/t14-/m1/s1
InChIKeyXVRVQGQOIUMWTN-CQSZACIVSA-N
MW368.82 g/mol
LogP1.69
Rot. Bonds7

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

(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (PubChem CID 2128639) has the molecular formula C17H21ClN2O5 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
PubChem CID2128639
Molecular FormulaC17H21ClN2O5
Molecular Weight368.82 g/mol
Exact Mass368.11
IUPAC Name(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O5/c1-10(2)8-14(17(24)25-9-15(22)19-11(3)21)20-16(23)12-4-6-13(18)7-5-12/h4-7,10,14H,8-9H2,1-3H3,(H,20,23)(H,19,21,22)/t14-/m1/s1
InChIKeyXVRVQGQOIUMWTN-CQSZACIVSA-N
XLogP1.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648812
[2-(methylcarbamoylamino)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351586
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965752
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 55464340
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965779
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 4318846
3-cyanopropyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 55355112
[(1R)-1-cyanoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648864
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648874
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648880
(2-chloro-6-fluorophenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351617

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The IUPAC name of (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (CID 2128639) is (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is CC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The InChIKey is XVRVQGQOIUMWTN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN2O5/c1-10(2)8-14(17(24)25-9-15(22)19-11(3)21)20-16(23)12-4-6-13(18)7-5-12/h4-7,10,14H,8-9H2,1-3H3,(H,20,23)(H,19,21,22)/t14-/m1/s1.
What are the key properties of (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate has a molecular weight of 368.82 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 2128639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).