2-[(2-chlorophenoxy)carbonylamino]propanoic acid

C10H10ClNO4 — CID 83825067

IUPAC2-[(2-chlorophenoxy)carbonylamino]propanoic acid
SMILESCC(NC(=O)Oc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-6(9(13)14)12-10(15)16-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyBSNOAWZLRLCLAI-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2-chlorophenoxy)carbonylamino]propanoic acid

2-[(2-chlorophenoxy)carbonylamino]propanoic acid (PubChem CID 83825067) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)carbonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)carbonylamino]propanoic acid
PubChem CID83825067
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-[(2-chlorophenoxy)carbonylamino]propanoic acid
SMILESCC(NC(=O)Oc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-6(9(13)14)12-10(15)16-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyBSNOAWZLRLCLAI-UHFFFAOYSA-N
XLogP1.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
CID 83823725
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
(2-chlorophenyl) N-(2-oxoethyl)carbamate
CID 83821380
(2-chlorophenyl) N-ethenylcarbamate
CID 71409284
(2-methylphenyl) N-(1-hydroxyethyl)carbamate
CID 175546454
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
(2-chlorophenyl) 2-methoxyacetate
CID 542147

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)carbonylamino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenoxy)carbonylamino]propanoic acid (CID 83825067) is 2-[(2-chlorophenoxy)carbonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenoxy)carbonylamino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenoxy)carbonylamino]propanoic acid is CC(NC(=O)Oc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenoxy)carbonylamino]propanoic acid?
The InChIKey is BSNOAWZLRLCLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-6(9(13)14)12-10(15)16-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-chlorophenoxy)carbonylamino]propanoic acid?
2-[(2-chlorophenoxy)carbonylamino]propanoic acid has a molecular weight of 243.65 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)carbonylamino]propanoic acid is sourced from PubChem (CID 83825067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).