[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate

C8H15NO3 — CID 170609840

IUPAC[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate
SMILESCNCC(OC=O)C(=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)8(11)7(4-9-3)12-5-10/h5-7,9H,4H2,1-3H3
InChIKeyVIDITEWDWDXPDF-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.03
Rot. Bonds6

About [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate

[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate (PubChem CID 170609840) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate.

Molecular Properties

Compound Name[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate
PubChem CID170609840
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate
SMILESCNCC(OC=O)C(=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)8(11)7(4-9-3)12-5-10/h5-7,9H,4H2,1-3H3
InChIKeyVIDITEWDWDXPDF-UHFFFAOYSA-N
XLogP-0.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(methylamino)-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-yl] formate
CID 164877139
[1-(methylamino)-1-oxopropan-2-yl] formate
CID 89053877
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
2-formyloxy-4,4-dimethylpentanoic acid
CID 167420755
(4R)-4-ethoxy-2-methylhexan-3-one
CID 176614582
(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide
CID 166658845
4-[(2,3-dimethylpentylamino)methyl]-2-methylheptan-3-one
CID 170222759
1-hydroxypropan-2-yl formate
CID 22152793
1-formyloxyethyl butanoate
CID 54235883
4-hydroxy-2-methyl-6-(methylamino)hexan-3-one
CID 88928528
(1-chloro-1-oxopropan-2-yl) formate
CID 89290637
4-formyloxypentan-2-yl formate
CID 123880614

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate?
The IUPAC name of [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate (CID 170609840) is [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate.
What is the SMILES notation for [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate?
The canonical SMILES for [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate is CNCC(OC=O)C(=O)C(C)C.
What is the InChIKey of [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate?
The InChIKey is VIDITEWDWDXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)8(11)7(4-9-3)12-5-10/h5-7,9H,4H2,1-3H3.
What are the key properties of [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate?
[4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate has a molecular weight of 173.21 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(methylamino)-3-oxopentan-2-yl] formate is sourced from PubChem (CID 170609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).