2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid

C10H9Cl2NO4 — CID 43184020

IUPAC2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2NO4/c11-5-1-2-7(12)6(3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyKRHFGBCGJQQIBL-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.17
Rot. Bonds4

About 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid

2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 43184020) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID43184020
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2NO4/c11-5-1-2-7(12)6(3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyKRHFGBCGJQQIBL-UHFFFAOYSA-N
XLogP1.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80749551
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
2-[(2,4-dichlorobenzoyl)amino]-3-methylsulfanylpropanoic acid
CID 110189851

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid (CID 43184020) is 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is KRHFGBCGJQQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c11-5-1-2-7(12)6(3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid?
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 278.09 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43184020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).