[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid

C11H22N2O4 — CID 170338570

IUPAC[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid
SMILESCON(C)C(=O)CC(N(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)8(12(4)10(15)16)7-9(14)13(5)17-6/h8H,7H2,1-6H3,(H,15,16)
InChIKeyJPNXCLFAMKLFQR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.42
Rot. Bonds4

About [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid

[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid (PubChem CID 170338570) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid
PubChem CID170338570
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid
SMILESCON(C)C(=O)CC(N(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)8(12(4)10(15)16)7-9(14)13(5)17-6/h8H,7H2,1-6H3,(H,15,16)
InChIKeyJPNXCLFAMKLFQR-UHFFFAOYSA-N
XLogP1.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.42
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

tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24824435
N-methoxy-N,3-dimethylbutanamide
CID 10975620
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
CID 90348684
(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide
CID 11543342
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 24824434
(3R)-3-[[(S)-tert-butylsulfinyl]amino]-N-methoxy-N,4,4-trimethylpentanamide
CID 11266332
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 118599467
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472
tert-butyl (2R)-4-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 57382108

Frequently Asked Questions

What is the IUPAC name of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid?
The IUPAC name of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid (CID 170338570) is [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid?
The canonical SMILES for [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid is CON(C)C(=O)CC(N(C)C(=O)O)C(C)(C)C.
What is the InChIKey of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid?
The InChIKey is JPNXCLFAMKLFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)8(12(4)10(15)16)7-9(14)13(5)17-6/h8H,7H2,1-6H3,(H,15,16).
What are the key properties of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid?
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid has a molecular weight of 246.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid is sourced from PubChem (CID 170338570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).