2-[ethyl(propylamino)amino]-3-phenylpropanoic acid

C14H22N2O2 — CID 67530430

IUPAC2-[ethyl(propylamino)amino]-3-phenylpropanoic acid
SMILESCCCNN(CC)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-10-15-16(4-2)13(14(17)18)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyLIFDEYNCLSIQHN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.92
Rot. Bonds8

About 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid

2-[ethyl(propylamino)amino]-3-phenylpropanoic acid (PubChem CID 67530430) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(propylamino)amino]-3-phenylpropanoic acid
PubChem CID67530430
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[ethyl(propylamino)amino]-3-phenylpropanoic acid
SMILESCCCNN(CC)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-10-15-16(4-2)13(14(17)18)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyLIFDEYNCLSIQHN-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid
CID 67531574
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
CID 160513351
CID 160513351
2-[benzyl(ethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 10711290
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
(2S)-2-[(cyclopropylamino)-methylamino]-3-phenylpropanoic acid
CID 67532102
(2S)-2-[bis[[diphosphonomethyl(ethyl)amino]-diphosphonomethyl]amino]-3-phenylpropanoic acid
CID 87259625

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid (CID 67530430) is 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid is CCCNN(CC)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid?
The InChIKey is LIFDEYNCLSIQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10-15-16(4-2)13(14(17)18)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid?
2-[ethyl(propylamino)amino]-3-phenylpropanoic acid has a molecular weight of 250.34 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propylamino)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 67530430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).