phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate

C19H22N2O4 — CID 175023346

IUPACphenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate
SMILESC[C@@H](NCCNC(=O)OCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-15(18(22)25-17-10-6-3-7-11-17)20-12-13-21-19(23)24-14-16-8-4-2-5-9-16/h2-11,15,20H,12-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyCSNRDWVIBFPYLI-OAHLLOKOSA-N
MW342.39 g/mol
LogP2.50
Rot. Bonds8

About phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate

phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate (PubChem CID 175023346) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate.

Molecular Properties

Compound Namephenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate
PubChem CID175023346
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namephenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate
SMILESC[C@@H](NCCNC(=O)OCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-15(18(22)25-17-10-6-3-7-11-17)20-12-13-21-19(23)24-14-16-8-4-2-5-9-16/h2-11,15,20H,12-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyCSNRDWVIBFPYLI-OAHLLOKOSA-N
XLogP2.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]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

benzyl N-[2-(benzhydrylamino)ethyl]carbamate
CID 139788577
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl] 2-(phenylmethoxycarbonylamino)propanoate
CID 70090876
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate?
The IUPAC name of phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate (CID 175023346) is phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate.
What is the SMILES notation for phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate?
The canonical SMILES for phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate is C[C@@H](NCCNC(=O)OCc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate?
The InChIKey is CSNRDWVIBFPYLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-15(18(22)25-17-10-6-3-7-11-17)20-12-13-21-19(23)24-14-16-8-4-2-5-9-16/h2-11,15,20H,12-14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate?
phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate has a molecular weight of 342.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate is sourced from PubChem (CID 175023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).