2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid

C15H21NO3 — CID 120509471

IUPAC2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
SMILESCCCC(NC/C=C/c1ccccc1OC)C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-7-13(15(17)18)16-11-6-9-12-8-4-5-10-14(12)19-2/h4-6,8-10,13,16H,3,7,11H2,1-2H3,(H,17,18)/b9-6+
InChIKeyINAUPIISXZAUQU-RMKNXTFCSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds8

About 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid

2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid (PubChem CID 120509471) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
PubChem CID120509471
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
SMILESCCCC(NC/C=C/c1ccccc1OC)C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-7-13(15(17)18)16-11-6-9-12-8-4-5-10-14(12)19-2/h4-6,8-10,13,16H,3,7,11H2,1-2H3,(H,17,18)/b9-6+
InChIKeyINAUPIISXZAUQU-RMKNXTFCSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
2-[[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]hexanoic acid
CID 122039439
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
3-methoxy-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 81077200
1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol
CID 171038223
4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid?
The IUPAC name of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid (CID 120509471) is 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid is CCCC(NC/C=C/c1ccccc1OC)C(=O)O.
What is the InChIKey of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid?
The InChIKey is INAUPIISXZAUQU-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-7-13(15(17)18)16-11-6-9-12-8-4-5-10-14(12)19-2/h4-6,8-10,13,16H,3,7,11H2,1-2H3,(H,17,18)/b9-6+.
What are the key properties of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid?
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid is sourced from PubChem (CID 120509471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).