2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid

C15H19NO2 — CID 43656590

IUPAC2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
SMILESO=C(O)CN(C/C=C/c1ccccc1)CC1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)12-16(11-14-8-9-14)10-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H,17,18)/b7-4+
InChIKeyJBOUDFHEHQTFRM-QPJJXVBHSA-N
MW245.32 g/mol
LogP2.50
Rot. Bonds7

About 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid

2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid (PubChem CID 43656590) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
PubChem CID43656590
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
SMILESO=C(O)CN(C/C=C/c1ccccc1)CC1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)12-16(11-14-8-9-14)10-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H,17,18)/b7-4+
InChIKeyJBOUDFHEHQTFRM-QPJJXVBHSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
CID 102476940
2-[2,2-diaminoethyl(3-phenylprop-2-enyl)amino]acetic acid
CID 141076521
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656617
2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid
CID 43656423
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
(E)-5-phenylpent-4-enoic acid
CID 5370650
2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
CID 104792711
2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656616
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid (CID 43656590) is 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid is O=C(O)CN(C/C=C/c1ccccc1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid?
The InChIKey is JBOUDFHEHQTFRM-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)12-16(11-14-8-9-14)10-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H,17,18)/b7-4+.
What are the key properties of 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid?
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid is sourced from PubChem (CID 43656590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).