tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate

C12H19N5O3 — CID 47451667

IUPACtert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccn1
InChIInChI=1S/C12H19N5O3/c1-8(15-11(19)20-12(2,3)4)9(18)16-17-10-13-6-5-7-14-10/h5-8H,1-4H3,(H,15,19)(H,16,18)(H,13,14,17)/t8-/m1/s1
InChIKeyHIQITZIOVWXWLD-MRVPVSSYSA-N
MW281.32 g/mol
LogP0.83
Rot. Bonds4

About tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate (PubChem CID 47451667) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate
PubChem CID47451667
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccn1
InChIInChI=1S/C12H19N5O3/c1-8(15-11(19)20-12(2,3)4)9(18)16-17-10-13-6-5-7-14-10/h5-8H,1-4H3,(H,15,19)(H,16,18)(H,13,14,17)/t8-/m1/s1
InChIKeyHIQITZIOVWXWLD-MRVPVSSYSA-N
XLogP0.83
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 101469112
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]amino]butan-2-yl]carbamate
CID 11047099
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
CID 175326422
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
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tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 90974587
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]carbamate
CID 110677846
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate (CID 47451667) is tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccn1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate?
The InChIKey is HIQITZIOVWXWLD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-8(15-11(19)20-12(2,3)4)9(18)16-17-10-13-6-5-7-14-10/h5-8H,1-4H3,(H,15,19)(H,16,18)(H,13,14,17)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate has a molecular weight of 281.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate is sourced from PubChem (CID 47451667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).