ethyl (2S)-2-formamido-3-phenylpropanoate

C12H15NO3 — CID 10198363

IUPACethyl (2S)-2-formamido-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC=O
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11(13-9-14)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyWGLPNLBKPWJSAP-NSHDSACASA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds6

About ethyl (2S)-2-formamido-3-phenylpropanoate

ethyl (2S)-2-formamido-3-phenylpropanoate (PubChem CID 10198363) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl (2S)-2-formamido-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-formamido-3-phenylpropanoate
PubChem CID10198363
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl (2S)-2-formamido-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC=O
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11(13-9-14)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyWGLPNLBKPWJSAP-NSHDSACASA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-formamido-3-phenylpropanoate
CID 595529
2,2,2-trifluoroethyl (2S)-2-formamido-3-phenylpropanoate
CID 91059743
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate
CID 14214037
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-formamido-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-formamido-3-phenylpropanoate (CID 10198363) is ethyl (2S)-2-formamido-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-formamido-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-formamido-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NC=O.
What is the InChIKey of ethyl (2S)-2-formamido-3-phenylpropanoate?
The InChIKey is WGLPNLBKPWJSAP-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)11(13-9-14)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-formamido-3-phenylpropanoate?
ethyl (2S)-2-formamido-3-phenylpropanoate has a molecular weight of 221.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-formamido-3-phenylpropanoate is sourced from PubChem (CID 10198363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).