3-(3-chloroanilino)oxypropanoic acid

C9H10ClNO3 — CID 142626478

IUPAC3-(3-chloroanilino)oxypropanoic acid
SMILESO=C(O)CCONc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO3/c10-7-2-1-3-8(6-7)11-14-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyMMEASRFJCAWAIQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.16
Rot. Bonds5

About 3-(3-chloroanilino)oxypropanoic acid

3-(3-chloroanilino)oxypropanoic acid (PubChem CID 142626478) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(3-chloroanilino)oxypropanoic acid.

Molecular Properties

Compound Name3-(3-chloroanilino)oxypropanoic acid
PubChem CID142626478
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name3-(3-chloroanilino)oxypropanoic acid
SMILESO=C(O)CCONc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO3/c10-7-2-1-3-8(6-7)11-14-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyMMEASRFJCAWAIQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 131885829
CID 131885829
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
4-[2-(3-chloroanilino)ethoxy]benzoic acid
CID 103234177
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
(3-chloroanilino)carbamic acid
CID 23031912
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)oxypropanoic acid?
The IUPAC name of 3-(3-chloroanilino)oxypropanoic acid (CID 142626478) is 3-(3-chloroanilino)oxypropanoic acid.
What is the SMILES notation for 3-(3-chloroanilino)oxypropanoic acid?
The canonical SMILES for 3-(3-chloroanilino)oxypropanoic acid is O=C(O)CCONc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloroanilino)oxypropanoic acid?
The InChIKey is MMEASRFJCAWAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-7-2-1-3-8(6-7)11-14-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13).
What are the key properties of 3-(3-chloroanilino)oxypropanoic acid?
3-(3-chloroanilino)oxypropanoic acid has a molecular weight of 215.64 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)oxypropanoic acid is sourced from PubChem (CID 142626478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).