3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid

C14H19NO3 — CID 134162150

IUPAC3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
SMILESCOc1cccc(CNC(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-12-4-2-3-10(7-12)9-15-13(8-14(16)17)11-5-6-11/h2-4,7,11,13,15H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyNCELKECOHSDTGS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds7

About 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid

3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid (PubChem CID 134162150) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
PubChem CID134162150
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
SMILESCOc1cccc(CNC(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-12-4-2-3-10(7-12)9-15-13(8-14(16)17)11-5-6-11/h2-4,7,11,13,15H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyNCELKECOHSDTGS-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 99856040
N-[1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 86798387
2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
CID 65059963
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid (CID 134162150) is 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid is COc1cccc(CNC(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid?
The InChIKey is NCELKECOHSDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-4-2-3-10(7-12)9-15-13(8-14(16)17)11-5-6-11/h2-4,7,11,13,15H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid?
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 134162150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).