methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid

C6H12N2O3 — CID 166692676

IUPACmethyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid
SMILESCNC(=O)C(C)N(C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(5(9)7-2)8(3)6(10)11/h4H,1-3H3,(H,7,9)(H,10,11)
InChIKeySCNSPWYDBPLLNE-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.27
Rot. Bonds2

About methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid

methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 166692676) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid
PubChem CID166692676
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namemethyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid
SMILESCNC(=O)C(C)N(C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(5(9)7-2)8(3)6(10)11/h4H,1-3H3,(H,7,9)(H,10,11)
InChIKeySCNSPWYDBPLLNE-UHFFFAOYSA-N
XLogP-0.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid (CID 166692676) is methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid is CNC(=O)C(C)N(C)C(=O)O.
What is the InChIKey of methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is SCNSPWYDBPLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(5(9)7-2)8(3)6(10)11/h4H,1-3H3,(H,7,9)(H,10,11).
What are the key properties of methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid?
methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 160.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 166692676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).