[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid

C9H18N2O4 — CID 118978249

IUPAC[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
SMILESCON(C)C(=O)C(C)CC(C)NC(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(8(12)11(3)15-4)5-7(2)10-9(13)14/h6-7,10H,5H2,1-4H3,(H,13,14)
InChIKeyICAROVPGAAABPI-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.69
Rot. Bonds5

About [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid

[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid (PubChem CID 118978249) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
PubChem CID118978249
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
SMILESCON(C)C(=O)C(C)CC(C)NC(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(8(12)11(3)15-4)5-7(2)10-9(13)14/h6-7,10H,5H2,1-4H3,(H,13,14)
InChIKeyICAROVPGAAABPI-UHFFFAOYSA-N
XLogP0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid
CID 118469879
[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 172789959
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
CID 161216773

Frequently Asked Questions

What is the IUPAC name of [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid?
The IUPAC name of [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid (CID 118978249) is [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid is CON(C)C(=O)C(C)CC(C)NC(=O)O.
What is the InChIKey of [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid?
The InChIKey is ICAROVPGAAABPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(8(12)11(3)15-4)5-7(2)10-9(13)14/h6-7,10H,5H2,1-4H3,(H,13,14).
What are the key properties of [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid?
[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid has a molecular weight of 218.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 118978249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).