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

C8H14N2O4 — CID 62934613

IUPAC5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(N)=O
InChIInChI=1S/C8H14N2O4/c1-8(2,4-6(12)13)3-5(11)10-7(9)14/h3-4H2,1-2H3,(H,12,13)(H3,9,10,11,14)
InChIKeyYWMLCNTZPXQEBB-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.07
Rot. Bonds4

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

5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934613) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934613
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(N)=O
InChIInChI=1S/C8H14N2O4/c1-8(2,4-6(12)13)3-5(11)10-7(9)14/h3-4H2,1-2H3,(H,12,13)(H3,9,10,11,14)
InChIKeyYWMLCNTZPXQEBB-UHFFFAOYSA-N
XLogP0.07
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934620
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
5-(cyanomethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933397
5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 63838896
4-amino-3,3-dimethylbutanoic acid
CID 910834
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
4-(carboxyamino)-3,3-dimethylbutanoic acid
CID 122599753

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 62934613) is 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC(N)=O.
What is the InChIKey of 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is YWMLCNTZPXQEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-8(2,4-6(12)13)3-5(11)10-7(9)14/h3-4H2,1-2H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).