tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate

C8H16N2O4 — CID 173325186

IUPACtert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate
SMILESCC(C)(C)OC(=O)NN=C[C@@H](O)CO
InChIInChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-9-4-6(12)5-11/h4,6,11-12H,5H2,1-3H3,(H,10,13)/t6-/m1/s1
InChIKeyRPUOROCHMMCBQK-ZCFIWIBFSA-N
MW204.23 g/mol
LogP-0.15
Rot. Bonds3

About tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate

tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate (PubChem CID 173325186) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate
PubChem CID173325186
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nametert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate
SMILESCC(C)(C)OC(=O)NN=C[C@@H](O)CO
InChIInChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-9-4-6(12)5-11/h4,6,11-12H,5H2,1-3H3,(H,10,13)/t6-/m1/s1
InChIKeyRPUOROCHMMCBQK-ZCFIWIBFSA-N
XLogP-0.15
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 9074824
tert-butyl N-[(E,2R)-1-hydroxyhex-4-en-2-yl]carbamate
CID 97300100
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
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tert-butyl N-[(E)-(3,5-difluorophenyl)methylideneamino]carbamate
CID 59016011
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
CID 10878590
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane
CID 142468263
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate?
The IUPAC name of tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate (CID 173325186) is tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate is CC(C)(C)OC(=O)NN=C[C@@H](O)CO.
What is the InChIKey of tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate?
The InChIKey is RPUOROCHMMCBQK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-9-4-6(12)5-11/h4,6,11-12H,5H2,1-3H3,(H,10,13)/t6-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate?
tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate has a molecular weight of 204.23 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate is sourced from PubChem (CID 173325186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).