3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid

C9H16N2O4 — CID 62935282

IUPAC3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
SMILESCNC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2,5-7(13)14)4-6(12)11-8(15)10-3/h4-5H2,1-3H3,(H,13,14)(H2,10,11,12,15)
InChIKeyHCAHJPRZBQEQMY-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.33
Rot. Bonds4

About 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid

3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 62935282) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
PubChem CID62935282
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
SMILESCNC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2,5-7(13)14)4-6(12)11-8(15)10-3/h4-5H2,1-3H3,(H,13,14)(H2,10,11,12,15)
InChIKeyHCAHJPRZBQEQMY-UHFFFAOYSA-N
XLogP0.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 63838896
5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933762
3,3-dimethyl-5-oxo-5-(pent-3-ynylcarbamoylamino)pentanoic acid
CID 116644377
5-(hex-5-ynylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 106213953
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 62934624
5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934620
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
5-(cyanomethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933397

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid (CID 62935282) is 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid is CNC(=O)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is HCAHJPRZBQEQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,5-7(13)14)4-6(12)11-8(15)10-3/h4-5H2,1-3H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid?
3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 216.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62935282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).