4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid

C11H20N2O4 — CID 43296183

IUPAC4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCC(C)CN(C)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-8(2)7-13(3)11(17)12-9(14)5-6-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)(H,12,14,17)
InChIKeyJVCZXCRBNFKXHF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.07
Rot. Bonds6

About 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid

4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 43296183) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID43296183
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCC(C)CN(C)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-8(2)7-13(3)11(17)12-9(14)5-6-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)(H,12,14,17)
InChIKeyJVCZXCRBNFKXHF-UHFFFAOYSA-N
XLogP1.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
CID 43296215
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
3-[[methyl(2-methylbutyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61199676
4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 112661372
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 61199113
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 62861745
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid (CID 43296183) is 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid is CCC(C)CN(C)C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is JVCZXCRBNFKXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-8(2)7-13(3)11(17)12-9(14)5-6-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)(H,12,14,17).
What are the key properties of 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid?
4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43296183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).