[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid

C12H16N2O4 — CID 90971348

IUPAC[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid
SMILESC[C@@H](NC(=O)C(O)CNC(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O4/c1-8(9-5-3-2-4-6-9)14-11(16)10(15)7-13-12(17)18/h2-6,8,10,13,15H,7H2,1H3,(H,14,16)(H,17,18)/t8-,10?/m1/s1
InChIKeyFQDJBGHCZYWBCP-HNHGDDPOSA-N
MW252.27 g/mol
LogP0.49
Rot. Bonds5

About [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid

[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid (PubChem CID 90971348) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid.

Molecular Properties

Compound Name[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid
PubChem CID90971348
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid
SMILESC[C@@H](NC(=O)C(O)CNC(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O4/c1-8(9-5-3-2-4-6-9)14-11(16)10(15)7-13-12(17)18/h2-6,8,10,13,15H,7H2,1H3,(H,14,16)(H,17,18)/t8-,10?/m1/s1
InChIKeyFQDJBGHCZYWBCP-HNHGDDPOSA-N
XLogP0.49
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid 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

(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
CID 129088961
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid?
The IUPAC name of [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid (CID 90971348) is [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid.
What is the SMILES notation for [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid?
The canonical SMILES for [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid is C[C@@H](NC(=O)C(O)CNC(=O)O)c1ccccc1.
What is the InChIKey of [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid?
The InChIKey is FQDJBGHCZYWBCP-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(9-5-3-2-4-6-9)14-11(16)10(15)7-13-12(17)18/h2-6,8,10,13,15H,7H2,1H3,(H,14,16)(H,17,18)/t8-,10?/m1/s1.
What are the key properties of [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid?
[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid has a molecular weight of 252.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid is sourced from PubChem (CID 90971348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).