methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate

C10H20N2O3 — CID 130396778

IUPACmethyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate
SMILESCOC(=O)NN(C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)12(11-9(14)15-6)8(13)10(3,4)5/h7H,1-6H3,(H,11,14)
InChIKeyQKWSVTFYSCNWCR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.54
Rot. Bonds1

About methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate

methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate (PubChem CID 130396778) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate
PubChem CID130396778
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate
SMILESCOC(=O)NN(C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)12(11-9(14)15-6)8(13)10(3,4)5/h7H,1-6H3,(H,11,14)
InChIKeyQKWSVTFYSCNWCR-UHFFFAOYSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate
CID 130401899
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(3-oxopentan-2-yl)carbamate
CID 11823244
tert-butyl N-(4-hydroxybutan-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 11392545
methyl N-[(2S,3R)-2-hydroxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59450089
N'-acetyl-N'-propan-2-ylacetohydrazide
CID 90431955
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
2,2,3,3-tetramethyl-N,N-di(propan-2-yl)butanamide
CID 58799213
methyl N-[(3S)-2-methoxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 130396767
(2R)-2-[4-methylpentanoyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanedioic acid
CID 90968149
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
O-methyl N-amino-N-(2,2-dimethylpropanoyl)carbamothioate
CID 88511705

Frequently Asked Questions

What is the IUPAC name of methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate?
The IUPAC name of methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate (CID 130396778) is methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate.
What is the SMILES notation for methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate?
The canonical SMILES for methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate is COC(=O)NN(C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate?
The InChIKey is QKWSVTFYSCNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)12(11-9(14)15-6)8(13)10(3,4)5/h7H,1-6H3,(H,11,14).
What are the key properties of methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate?
methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate is sourced from PubChem (CID 130396778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).