2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid

C11H13ClN2O5 — CID 61184240

IUPAC2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCOc1ccc(Cl)cc1NC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H13ClN2O5/c1-19-9-3-2-6(12)4-7(9)13-11(18)14-8(5-15)10(16)17/h2-4,8,15H,5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeySEZODHBXXNGSJI-UHFFFAOYSA-N
MW288.69 g/mol
LogP0.92
Rot. Bonds5

About 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid

2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 61184240) has the molecular formula C11H13ClN2O5 and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID61184240
Molecular FormulaC11H13ClN2O5
Molecular Weight288.69 g/mol
Exact Mass288.05
IUPAC Name2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCOc1ccc(Cl)cc1NC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H13ClN2O5/c1-19-9-3-2-6(12)4-7(9)13-11(18)14-8(5-15)10(16)17/h2-4,8,15H,5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeySEZODHBXXNGSJI-UHFFFAOYSA-N
XLogP0.92
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
CID 61184596
2-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181908
3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
(2S)-2-[(4-chloro-2-iodophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107628559
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
4-(5-chloro-2-methoxyanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 3379069
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 61184240) is 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid is COc1ccc(Cl)cc1NC(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is SEZODHBXXNGSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5/c1-19-9-3-2-6(12)4-7(9)13-11(18)14-8(5-15)10(16)17/h2-4,8,15H,5H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 288.69 g/mol, XLogP of 0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61184240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).