[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate

C13H19N3O3 — CID 162689535

IUPAC[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
SMILESCC(OC(=O)NCc1ccccc1)C(=O)NCCN
InChIInChI=1S/C13H19N3O3/c1-10(12(17)15-8-7-14)19-13(18)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyRANMYEYJJIHERH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.38
Rot. Bonds6

About [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate

[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate (PubChem CID 162689535) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
PubChem CID162689535
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
SMILESCC(OC(=O)NCc1ccccc1)C(=O)NCCN
InChIInChI=1S/C13H19N3O3/c1-10(12(17)15-8-7-14)19-13(18)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyRANMYEYJJIHERH-UHFFFAOYSA-N
XLogP0.38
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
CID 67070108
but-3-en-2-yl N-benzylcarbamate
CID 130012657
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
benzene;ethyl N-benzylcarbamate
CID 67715166
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
3-hydroxybutyl N-benzylcarbamate
CID 142744474
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8575420
[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
CID 175377376
[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 144705783
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate?
The IUPAC name of [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate (CID 162689535) is [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate?
The canonical SMILES for [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate is CC(OC(=O)NCc1ccccc1)C(=O)NCCN.
What is the InChIKey of [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate?
The InChIKey is RANMYEYJJIHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(12(17)15-8-7-14)19-13(18)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate?
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate has a molecular weight of 265.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 162689535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).