methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid

C8H15NO3 — CID 18418691

IUPACmethyl-(4-methyl-1-oxopentan-2-yl)carbamic acid
SMILESCC(C)CC(C=O)N(C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(5-10)9(3)8(11)12/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyGAMXDKGBBPBYRZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.21
Rot. Bonds4

About methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid

methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid (PubChem CID 18418691) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(4-methyl-1-oxopentan-2-yl)carbamic acid
PubChem CID18418691
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl-(4-methyl-1-oxopentan-2-yl)carbamic acid
SMILESCC(C)CC(C=O)N(C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(5-10)9(3)8(11)12/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyGAMXDKGBBPBYRZ-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid?
The IUPAC name of methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid (CID 18418691) is methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid.
What is the SMILES notation for methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid?
The canonical SMILES for methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid is CC(C)CC(C=O)N(C)C(=O)O.
What is the InChIKey of methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid?
The InChIKey is GAMXDKGBBPBYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)4-7(5-10)9(3)8(11)12/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid?
methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methyl-1-oxopentan-2-yl)carbamic acid is sourced from PubChem (CID 18418691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).