(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate

C13H14NO4- — CID 7015060

IUPAC(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H15NO4/c1-2-8-18-13(17)14-11(12(15)16)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1
InChIKeyFVBZCQLQINXRAC-LLVKDONJSA-M
MW248.26 g/mol
LogP0.26
Rot. Bonds6

About (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate

(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 7015060) has the molecular formula C13H14NO4- and a molecular weight of 248.26 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
PubChem CID7015060
Molecular FormulaC13H14NO4-
Molecular Weight248.26 g/mol
Exact Mass248.09
IUPAC Name(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H15NO4/c1-2-8-18-13(17)14-11(12(15)16)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1
InChIKeyFVBZCQLQINXRAC-LLVKDONJSA-M
XLogP0.26
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
3-phenyl-2-[[3-phenyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]propanoic acid
CID 20643463
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
octyl 3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
CID 6423297
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
(2S)-2-(prop-2-enoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 7408759
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid;prop-2-enylazanide
CID 131718648
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
benzyl N-[(2R)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 18638334
ethenyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate;hydrochloride
CID 166177288
methyl (2S)-3-(4-bromophenyl)-2-(prop-2-enoxycarbonylamino)propanoate
CID 155817769

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate (CID 7015060) is (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is FVBZCQLQINXRAC-LLVKDONJSA-M. The full InChI is InChI=1S/C13H15NO4/c1-2-8-18-13(17)14-11(12(15)16)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,17)(H,15,16)/p-1/t11-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate?
(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 248.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 7015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).