3-[3-(2-methylphenoxy)propanoylamino]butanoic acid

C14H19NO4 — CID 43240704

IUPAC3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
SMILESCc1ccccc1OCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-10-5-3-4-6-12(10)19-8-7-13(16)15-11(2)9-14(17)18/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLZCHSGKEOXDZMI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds7

About 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid

3-[3-(2-methylphenoxy)propanoylamino]butanoic acid (PubChem CID 43240704) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
PubChem CID43240704
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
SMILESCc1ccccc1OCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-10-5-3-4-6-12(10)19-8-7-13(16)15-11(2)9-14(17)18/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLZCHSGKEOXDZMI-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
4-methoxy-2-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 62478591
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid?
The IUPAC name of 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid (CID 43240704) is 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid.
What is the SMILES notation for 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid?
The canonical SMILES for 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid is Cc1ccccc1OCCC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid?
The InChIKey is LZCHSGKEOXDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-3-4-6-12(10)19-8-7-13(16)15-11(2)9-14(17)18/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid?
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 43240704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).