methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate

C11H12ClNO5 — CID 43405857

IUPACmethyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C11H12ClNO5/c1-18-11(17)8(5-14)13-10(16)7-3-2-6(12)4-9(7)15/h2-4,8,14-15H,5H2,1H3,(H,13,16)
InChIKeyVAPMBBVUNIMEND-UHFFFAOYSA-N
MW273.67 g/mol
LogP0.31
Rot. Bonds4

About methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate

methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate (PubChem CID 43405857) has the molecular formula C11H12ClNO5 and a molecular weight of 273.67 g/mol. Its IUPAC name is methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
PubChem CID43405857
Molecular FormulaC11H12ClNO5
Molecular Weight273.67 g/mol
Exact Mass273.04
IUPAC Namemethyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C11H12ClNO5/c1-18-11(17)8(5-14)13-10(16)7-3-2-6(12)4-9(7)15/h2-4,8,14-15H,5H2,1H3,(H,13,16)
InChIKeyVAPMBBVUNIMEND-UHFFFAOYSA-N
XLogP0.31
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
CID 81076526
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
CID 43405671
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate
CID 10125583
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate
CID 54120863
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoate
CID 43407113
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate (CID 43405857) is methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate?
The InChIKey is VAPMBBVUNIMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5/c1-18-11(17)8(5-14)13-10(16)7-3-2-6(12)4-9(7)15/h2-4,8,14-15H,5H2,1H3,(H,13,16).
What are the key properties of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate?
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate has a molecular weight of 273.67 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 43405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).