(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid

C11H11Cl2NO4 — CID 119942883

IUPAC(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c1-5(11(16)17)14-10(15)6-3-7(12)8(13)4-9(6)18-2/h3-5H,1-2H3,(H,14,15)(H,16,17)/t5-/m0/s1
InChIKeyQZVNQIOHFTVTPX-YFKPBYRVSA-N
MW292.12 g/mol
LogP2.20
Rot. Bonds4

About (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid

(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid (PubChem CID 119942883) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
PubChem CID119942883
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c1-5(11(16)17)14-10(15)6-3-7(12)8(13)4-9(6)18-2/h3-5H,1-2H3,(H,14,15)(H,16,17)/t5-/m0/s1
InChIKeyQZVNQIOHFTVTPX-YFKPBYRVSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120525982
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120523671
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975862
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
CID 119943103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid (CID 119942883) is (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid is COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid?
The InChIKey is QZVNQIOHFTVTPX-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c1-5(11(16)17)14-10(15)6-3-7(12)8(13)4-9(6)18-2/h3-5H,1-2H3,(H,14,15)(H,16,17)/t5-/m0/s1.
What are the key properties of (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid?
(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid has a molecular weight of 292.12 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 119942883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).