4-(carbamoylamino)-2-methyl-4-oxobutanoic acid

C6H10N2O4 — CID 59595785

IUPAC4-(carbamoylamino)-2-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)NC(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c1-3(5(10)11)2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12)
InChIKeyHDTKCSAGJUHGCV-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.71
Rot. Bonds3

About 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid

4-(carbamoylamino)-2-methyl-4-oxobutanoic acid (PubChem CID 59595785) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(carbamoylamino)-2-methyl-4-oxobutanoic acid
PubChem CID59595785
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name4-(carbamoylamino)-2-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)NC(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c1-3(5(10)11)2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12)
InChIKeyHDTKCSAGJUHGCV-UHFFFAOYSA-N
XLogP-0.71
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-formamido-2-methyl-4-oxobutanoic acid
CID 169139394
2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-2-methylpropanoic acid
CID 64914905
(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
CID 19860300
N-carbamoyl-2-propan-2-yloxyacetamide
CID 112604296
2-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354164
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
4-carbamoyl-2-methylhex-4-enoic acid
CID 58121306
4-amino-2-methylpentanoic acid
CID 22105024

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid?
The IUPAC name of 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid (CID 59595785) is 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid is CC(CC(=O)NC(N)=O)C(=O)O.
What is the InChIKey of 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid?
The InChIKey is HDTKCSAGJUHGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-3(5(10)11)2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12).
What are the key properties of 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid?
4-(carbamoylamino)-2-methyl-4-oxobutanoic acid has a molecular weight of 174.16 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 59595785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).