ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

C13H17NO4 — CID 10538700

IUPACethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyLPVIAWIIPLTGFK-JTQLQIEISA-N
MW251.28 g/mol
LogP1.86
Rot. Bonds5

About ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 10538700) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID10538700
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyLPVIAWIIPLTGFK-JTQLQIEISA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-(phenylmethoxycarbonylamino)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

ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
octyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699627
pentadecyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699643
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 15612755
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
ethyl 3-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 68727772
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 11139956
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate (CID 10538700) is ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate is CCOC(=O)[C@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is LPVIAWIIPLTGFK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 10538700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).