[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate

C13H16N2O3 — CID 175144883

IUPAC[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate
SMILESNC(=O)[C@@H](OC(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C13H16N2O3/c14-12(16)11(10-6-7-10)18-13(17)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,16)(H,15,17)/t11-/m0/s1
InChIKeyHVUWFOAYBVNJNX-NSHDSACASA-N
MW248.28 g/mol
LogP1.18
Rot. Bonds5

About [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate

[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate (PubChem CID 175144883) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate.

Molecular Properties

Compound Name[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate
PubChem CID175144883
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate
SMILESNC(=O)[C@@H](OC(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C13H16N2O3/c14-12(16)11(10-6-7-10)18-13(17)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,16)(H,15,17)/t11-/m0/s1
InChIKeyHVUWFOAYBVNJNX-NSHDSACASA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
benzene;ethyl N-benzylcarbamate
CID 67715166
but-3-en-2-yl N-benzylcarbamate
CID 130012657
N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
benzene;benzylurea;hydrazine
CID 68793593
(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
CID 67070108

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate?
The IUPAC name of [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate (CID 175144883) is [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate.
What is the SMILES notation for [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate?
The canonical SMILES for [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate is NC(=O)[C@@H](OC(=O)NCc1ccccc1)C1CC1.
What is the InChIKey of [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate?
The InChIKey is HVUWFOAYBVNJNX-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(16)11(10-6-7-10)18-13(17)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate?
[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate has a molecular weight of 248.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate is sourced from PubChem (CID 175144883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).