[(2R)-2-acetamido-3-phenylpropyl] carbamate

C12H16N2O3 — CID 138394001

IUPAC[(2R)-2-acetamido-3-phenylpropyl] carbamate
SMILESCC(=O)N[C@@H](COC(N)=O)Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-11(8-17-12(13)16)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,16)(H,14,15)/t11-/m1/s1
InChIKeyDBTMAFBKARFMAA-LLVKDONJSA-N
MW236.27 g/mol
LogP0.83
Rot. Bonds5

About [(2R)-2-acetamido-3-phenylpropyl] carbamate

[(2R)-2-acetamido-3-phenylpropyl] carbamate (PubChem CID 138394001) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(2R)-2-acetamido-3-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-acetamido-3-phenylpropyl] carbamate
PubChem CID138394001
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[(2R)-2-acetamido-3-phenylpropyl] carbamate
SMILESCC(=O)N[C@@H](COC(N)=O)Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-11(8-17-12(13)16)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,16)(H,14,15)/t11-/m1/s1
InChIKeyDBTMAFBKARFMAA-LLVKDONJSA-N
XLogP0.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(carbamoylamino)-3-phenylpropyl] carbamate
CID 155892632
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate
CID 42632624
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
CID 151924983
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetamido-3-phenylpropyl] carbamate?
The IUPAC name of [(2R)-2-acetamido-3-phenylpropyl] carbamate (CID 138394001) is [(2R)-2-acetamido-3-phenylpropyl] carbamate.
What is the SMILES notation for [(2R)-2-acetamido-3-phenylpropyl] carbamate?
The canonical SMILES for [(2R)-2-acetamido-3-phenylpropyl] carbamate is CC(=O)N[C@@H](COC(N)=O)Cc1ccccc1.
What is the InChIKey of [(2R)-2-acetamido-3-phenylpropyl] carbamate?
The InChIKey is DBTMAFBKARFMAA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)14-11(8-17-12(13)16)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,16)(H,14,15)/t11-/m1/s1.
What are the key properties of [(2R)-2-acetamido-3-phenylpropyl] carbamate?
[(2R)-2-acetamido-3-phenylpropyl] carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetamido-3-phenylpropyl] carbamate is sourced from PubChem (CID 138394001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).