3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid

C16H23NO4 — CID 81066007

IUPAC3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CCc1ccccc1OC)CC(=O)O
InChIInChI=1S/C16H23NO4/c1-3-12(10-16(19)20)11-17-15(18)9-8-13-6-4-5-7-14(13)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQPYVYTKEVWZRHH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.24
Rot. Bonds9

About 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid

3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid (PubChem CID 81066007) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
PubChem CID81066007
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CCc1ccccc1OC)CC(=O)O
InChIInChI=1S/C16H23NO4/c1-3-12(10-16(19)20)11-17-15(18)9-8-13-6-4-5-7-14(13)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQPYVYTKEVWZRHH-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795
(2S)-2-[3-(2-methoxyphenyl)propanoylamino]-3-methylpentanoic acid
CID 61172911
methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
CID 112533174
3-(3,4-dimethoxyphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 45433011
N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199
N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
CID 113276407
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
CID 43240218

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid (CID 81066007) is 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid is CCC(CNC(=O)CCc1ccccc1OC)CC(=O)O.
What is the InChIKey of 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid?
The InChIKey is QPYVYTKEVWZRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-12(10-16(19)20)11-17-15(18)9-8-13-6-4-5-7-14(13)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid?
3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81066007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).