(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid

C13H15ClN2O5 — CID 29054204

IUPAC(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H15ClN2O5/c1-21-10-4-2-7(14)6-8(10)12(18)16-9(13(19)20)3-5-11(15)17/h2,4,6,9H,3,5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyQWNVVXIBHXXTPW-VIFPVBQESA-N
MW314.73 g/mol
LogP0.80
Rot. Bonds7

About (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid (PubChem CID 29054204) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
PubChem CID29054204
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H15ClN2O5/c1-21-10-4-2-7(14)6-8(10)12(18)16-9(13(19)20)3-5-11(15)17/h2,4,6,9H,3,5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyQWNVVXIBHXXTPW-VIFPVBQESA-N
XLogP0.80
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821307
6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
(2S)-5-amino-2-[[(2R)-2-[(2-amino-5-chlorobenzoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 25003874
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
CID 107830031
(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid
CID 67332121
(2S,3R)-2-[[(2S)-5-amino-2-[[2-[(2R)-2-aminopropoxy]-5-chlorobenzoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
CID 155989581
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid (CID 29054204) is (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid is COc1ccc(Cl)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is QWNVVXIBHXXTPW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-21-10-4-2-7(14)6-8(10)12(18)16-9(13(19)20)3-5-11(15)17/h2,4,6,9H,3,5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 314.73 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 29054204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).