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

C15H17NO3 — CID 43341261

IUPAC2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
SMILESCC(NC(=O)/C=C/c1ccccc1)(C(=O)O)C1CC1
InChIInChI=1S/C15H17NO3/c1-15(14(18)19,12-8-9-12)16-13(17)10-7-11-5-3-2-4-6-11/h2-7,10,12H,8-9H2,1H3,(H,16,17)(H,18,19)/b10-7+
InChIKeyCSCCRAHMAKOVKW-JXMROGBWSA-N
MW259.31 g/mol
LogP2.07
Rot. Bonds5

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

2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid (PubChem CID 43341261) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
PubChem CID43341261
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
SMILESCC(NC(=O)/C=C/c1ccccc1)(C(=O)O)C1CC1
InChIInChI=1S/C15H17NO3/c1-15(14(18)19,12-8-9-12)16-13(17)10-7-11-5-3-2-4-6-11/h2-7,10,12H,8-9H2,1H3,(H,16,17)(H,18,19)/b10-7+
InChIKeyCSCCRAHMAKOVKW-JXMROGBWSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid
CID 43172498
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid
CID 43172580
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 62099240
2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 75483394
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361670
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid (CID 43341261) is 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid is CC(NC(=O)/C=C/c1ccccc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
The InChIKey is CSCCRAHMAKOVKW-JXMROGBWSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(14(18)19,12-8-9-12)16-13(17)10-7-11-5-3-2-4-6-11/h2-7,10,12H,8-9H2,1H3,(H,16,17)(H,18,19)/b10-7+.
What are the key properties of 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid?
2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 43341261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).