4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid

C11H18N2O4 — CID 62861745

IUPAC4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(CC1CCC1)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-13(7-8-3-2-4-8)11(17)12-9(14)5-6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyAKMMUKNQXYNYKT-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.82
Rot. Bonds5

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

4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 62861745) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID62861745
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(CC1CCC1)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-13(7-8-3-2-4-8)11(17)12-9(14)5-6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyAKMMUKNQXYNYKT-UHFFFAOYSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
5-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61435718
6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-6-oxohexanoic acid
CID 79311151
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 63707561
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid (CID 62861745) is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid is CN(CC1CCC1)C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is AKMMUKNQXYNYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(7-8-3-2-4-8)11(17)12-9(14)5-6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 62861745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).