4-[(2-methoxy-1-phenylethyl)amino]butanoic acid

C13H19NO3 — CID 103913559

IUPAC4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
SMILESCOCC(NCCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-10-12(11-6-3-2-4-7-11)14-9-5-8-13(15)16/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,15,16)
InChIKeyGHTPNFADOJDQCF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.83
Rot. Bonds8

About 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid

4-[(2-methoxy-1-phenylethyl)amino]butanoic acid (PubChem CID 103913559) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
PubChem CID103913559
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
SMILESCOCC(NCCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-10-12(11-6-3-2-4-7-11)14-9-5-8-13(15)16/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,15,16)
InChIKeyGHTPNFADOJDQCF-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid (CID 103913559) is 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid is COCC(NCCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid?
The InChIKey is GHTPNFADOJDQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-10-12(11-6-3-2-4-7-11)14-9-5-8-13(15)16/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,15,16).
What are the key properties of 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid?
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-1-phenylethyl)amino]butanoic acid is sourced from PubChem (CID 103913559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).