3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid

C15H19NO2 — CID 60839035

IUPAC3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
SMILESO=C(O)CCN(C/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)10-12-16(14-8-9-14)11-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H,17,18)/b7-4+
InChIKeyMWUOLBJFFMGXKX-QPJJXVBHSA-N
MW245.32 g/mol
LogP2.64
Rot. Bonds7

About 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid

3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid (PubChem CID 60839035) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
PubChem CID60839035
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
SMILESO=C(O)CCN(C/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)10-12-16(14-8-9-14)11-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H,17,18)/b7-4+
InChIKeyMWUOLBJFFMGXKX-QPJJXVBHSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
CID 131908508
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
(E)-5-phenylpent-4-enoic acid
CID 5370650
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
CID 77037858
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
CID 134704642
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
butanoic acid;3-phenylprop-2-en-1-ol
CID 175086989

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid (CID 60839035) is 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid is O=C(O)CCN(C/C=C/c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid?
The InChIKey is MWUOLBJFFMGXKX-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)10-12-16(14-8-9-14)11-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H,17,18)/b7-4+.
What are the key properties of 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid?
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid is sourced from PubChem (CID 60839035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).