[(2R)-2-phenylpropyl] carbamate

C10H13NO2 — CID 175384997

IUPAC[(2R)-2-phenylpropyl] carbamate
SMILESC[C@@H](COC(N)=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(7-13-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)/t8-/m0/s1
InChIKeyIHSZWXSZYXCSCX-QMMMGPOBSA-N
MW179.22 g/mol
LogP1.89
Rot. Bonds3

About [(2R)-2-phenylpropyl] carbamate

[(2R)-2-phenylpropyl] carbamate (PubChem CID 175384997) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [(2R)-2-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-phenylpropyl] carbamate
PubChem CID175384997
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[(2R)-2-phenylpropyl] carbamate
SMILESC[C@@H](COC(N)=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(7-13-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)/t8-/m0/s1
InChIKeyIHSZWXSZYXCSCX-QMMMGPOBSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)propyl carbamate
CID 66715133
2-phenylpropyl 2-methylpropanoate
CID 576240
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
2-phenylpropyl 3,4,5-trihydroxybenzoate
CID 87719767
2-phenylpropyl 2-cyanoprop-2-enoate
CID 139645044
[(2S)-2-(3,5-dimethoxyphenyl)propyl] carbamate
CID 146173874
bis(2-phenylpropoxy)methanol
CID 89428538

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylpropyl] carbamate?
The IUPAC name of [(2R)-2-phenylpropyl] carbamate (CID 175384997) is [(2R)-2-phenylpropyl] carbamate.
What is the SMILES notation for [(2R)-2-phenylpropyl] carbamate?
The canonical SMILES for [(2R)-2-phenylpropyl] carbamate is C[C@@H](COC(N)=O)c1ccccc1.
What is the InChIKey of [(2R)-2-phenylpropyl] carbamate?
The InChIKey is IHSZWXSZYXCSCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(7-13-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)/t8-/m0/s1.
What are the key properties of [(2R)-2-phenylpropyl] carbamate?
[(2R)-2-phenylpropyl] carbamate has a molecular weight of 179.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylpropyl] carbamate is sourced from PubChem (CID 175384997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).