3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid

C12H14ClNO4 — CID 82325307

IUPAC3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO4/c13-10-4-2-1-3-9(10)12(18)14(7-8-15)6-5-11(16)17/h1-4,15H,5-8H2,(H,16,17)
InChIKeyLVTLKWADCHLGEP-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.25
Rot. Bonds6

About 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid

3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82325307) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
PubChem CID82325307
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO4/c13-10-4-2-1-3-9(10)12(18)14(7-8-15)6-5-11(16)17/h1-4,15H,5-8H2,(H,16,17)
InChIKeyLVTLKWADCHLGEP-UHFFFAOYSA-N
XLogP1.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
3-[(3-chloro-2-fluorobenzoyl)-ethylamino]propanoic acid
CID 81267764
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid (CID 82325307) is 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid is O=C(O)CCN(CCO)C(=O)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is LVTLKWADCHLGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c13-10-4-2-1-3-9(10)12(18)14(7-8-15)6-5-11(16)17/h1-4,15H,5-8H2,(H,16,17).
What are the key properties of 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82325307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).