tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate

C10H21N3O3 — CID 116849757

IUPACtert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate
SMILESCNNC(=O)CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-7(6-8(14)13-11-5)12-9(15)16-10(2,3)4/h7,11H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyRSAYVLUFNBTMHI-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.54
Rot. Bonds4

About tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate

tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate (PubChem CID 116849757) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate
PubChem CID116849757
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate
SMILESCNNC(=O)CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-7(6-8(14)13-11-5)12-9(15)16-10(2,3)4/h7,11H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyRSAYVLUFNBTMHI-UHFFFAOYSA-N
XLogP0.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22406400
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R,4Z)-4-amino-4-hydroxyiminobutan-2-yl]carbamate
CID 94527750
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2R)-4-(2-methylanilino)-4-oxobutan-2-yl]carbamate
CID 95781912
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[(2R)-5-[dimethyl(oxo)-λ6-sulfanylidene]-4-oxopentan-2-yl]carbamate
CID 177284674
tert-butyl N-[(2S)-5-diazo-4-oxopentan-2-yl]carbamate
CID 101058178
tert-butyl N-[(E)-6-[methoxy(methyl)amino]-4-oxohex-5-en-2-yl]carbamate
CID 23573256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate (CID 116849757) is tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate is CNNC(=O)CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate?
The InChIKey is RSAYVLUFNBTMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(6-8(14)13-11-5)12-9(15)16-10(2,3)4/h7,11H,6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate?
tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 116849757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).