[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate

C12H18N2O2 — CID 58681193

IUPAC[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC[C@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(2)14-12(15)16-8-11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyUJGGLYPYSIHNGZ-NSHDSACASA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds4

About [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate

[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate (PubChem CID 58681193) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
PubChem CID58681193
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC[C@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(2)14-12(15)16-8-11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyUJGGLYPYSIHNGZ-NSHDSACASA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
CID 101083275
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
CID 58818558
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
CID 104898288
[(2S)-2-amino-2-phenylethyl] 2-aminobenzoate
CID 11747228
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate?
The IUPAC name of [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate (CID 58681193) is [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC[C@H](N)c1ccccc1.
What is the InChIKey of [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate?
The InChIKey is UJGGLYPYSIHNGZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)14-12(15)16-8-11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate?
[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 58681193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).