methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid

C11H13NO3 — CID 140983317

IUPACmethyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCN(C(=O)O)[C@@H](C=O)Cc1ccccc1
InChIInChI=1S/C11H13NO3/c1-12(11(14)15)10(8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyCEDIIQVTIYZTOZ-SNVBAGLBSA-N
MW207.23 g/mol
LogP1.41
Rot. Bonds4

About methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid

methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 140983317) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID140983317
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCN(C(=O)O)[C@@H](C=O)Cc1ccccc1
InChIInChI=1S/C11H13NO3/c1-12(11(14)15)10(8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyCEDIIQVTIYZTOZ-SNVBAGLBSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-3-phenylpropanal
CID 19361863
[4-(2-fluorophenyl)piperazin-1-yl]-(1-oxo-3-phenylpropan-2-yl)carbamic acid
CID 174386800
3-[benzyl(ethyl)amino]-4-oxobutanoic acid
CID 142656024
2-(dimethylamino)-3-(4-hydroxyphenyl)propanal
CID 177035861
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
CID 135349152
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
formic acid;2-methylpropylbenzene
CID 162001374
2-bromo-3-phenylpropanal;ethane
CID 90858202
(2S)-2-[methyl(prop-2-enoyl)amino]-3-phenylpropanoic acid
CID 141058910

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 140983317) is methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid is CN(C(=O)O)[C@@H](C=O)Cc1ccccc1.
What is the InChIKey of methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is CEDIIQVTIYZTOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12(11(14)15)10(8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 207.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 140983317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).