4-methyl-4-(methylcarbamoylamino)pentanoic acid

C8H16N2O3 — CID 62047598

IUPAC4-methyl-4-(methylcarbamoylamino)pentanoic acid
SMILESCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-8(2,5-4-6(11)12)10-7(13)9-3/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKeyDLPQOIHQNRIEPA-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.56
Rot. Bonds4

About 4-methyl-4-(methylcarbamoylamino)pentanoic acid

4-methyl-4-(methylcarbamoylamino)pentanoic acid (PubChem CID 62047598) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-methyl-4-(methylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(methylcarbamoylamino)pentanoic acid
PubChem CID62047598
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-methyl-4-(methylcarbamoylamino)pentanoic acid
SMILESCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-8(2,5-4-6(11)12)10-7(13)9-3/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKeyDLPQOIHQNRIEPA-UHFFFAOYSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(methylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(methylcarbamoylamino)pentanoic acid (CID 62047598) is 4-methyl-4-(methylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(methylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(methylcarbamoylamino)pentanoic acid is CNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-(methylcarbamoylamino)pentanoic acid?
The InChIKey is DLPQOIHQNRIEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,5-4-6(11)12)10-7(13)9-3/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13).
What are the key properties of 4-methyl-4-(methylcarbamoylamino)pentanoic acid?
4-methyl-4-(methylcarbamoylamino)pentanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62047598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).