[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate

C12H14N6O3 — CID 166386432

IUPAC[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate
SMILESCC(OC(=O)Nc1ccccc1)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C12H14N6O3/c1-8(11(19)13-7-10-15-17-18-16-10)21-12(20)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,19)(H,14,20)(H,15,16,17,18)
InChIKeyQIUOHWMDCMBNRO-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.45
Rot. Bonds5

About [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate

[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate (PubChem CID 166386432) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate
PubChem CID166386432
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate
SMILESCC(OC(=O)Nc1ccccc1)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C12H14N6O3/c1-8(11(19)13-7-10-15-17-18-16-10)21-12(20)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,19)(H,14,20)(H,15,16,17,18)
InChIKeyQIUOHWMDCMBNRO-UHFFFAOYSA-N
XLogP0.45
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 62366415
5-fluoro-4-hydroxy-3-[2-(phenylcarbamoyloxy)propanoylamino]pentanoic acid
CID 69129406
5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid
CID 69129405
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
[1-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] N-phenylcarbamate
CID 4679697
4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
CID 10061224
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248182
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786528

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate?
The IUPAC name of [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate (CID 166386432) is [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate?
The canonical SMILES for [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate is CC(OC(=O)Nc1ccccc1)C(=O)NCc1nn[nH]n1.
What is the InChIKey of [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate?
The InChIKey is QIUOHWMDCMBNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-8(11(19)13-7-10-15-17-18-16-10)21-12(20)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,19)(H,14,20)(H,15,16,17,18).
What are the key properties of [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate?
[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate has a molecular weight of 290.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 166386432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).