4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid

C14H18ClNO5 — CID 103152889

IUPAC4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C(C)Oc1ccccc1Cl)CC(=O)O
InChIInChI=1S/C14H18ClNO5/c1-9(21-12-6-4-3-5-11(12)15)14(19)16-8-10(20-2)7-13(17)18/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUOLUDXSOKFDMKA-UHFFFAOYSA-N
MW315.75 g/mol
LogP1.71
Rot. Bonds8

About 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid

4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid (PubChem CID 103152889) has the molecular formula C14H18ClNO5 and a molecular weight of 315.75 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
PubChem CID103152889
Molecular FormulaC14H18ClNO5
Molecular Weight315.75 g/mol
Exact Mass315.09
IUPAC Name4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C(C)Oc1ccccc1Cl)CC(=O)O
InChIInChI=1S/C14H18ClNO5/c1-9(21-12-6-4-3-5-11(12)15)14(19)16-8-10(20-2)7-13(17)18/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUOLUDXSOKFDMKA-UHFFFAOYSA-N
XLogP1.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
4-[2-(4-bromophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152776
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid (CID 103152889) is 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid is COC(CNC(=O)C(C)Oc1ccccc1Cl)CC(=O)O.
What is the InChIKey of 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid?
The InChIKey is UOLUDXSOKFDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5/c1-9(21-12-6-4-3-5-11(12)15)14(19)16-8-10(20-2)7-13(17)18/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid?
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid has a molecular weight of 315.75 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103152889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).