4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid

C10H18N2O4 — CID 103153423

IUPAC4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)NC1CCC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(5-9(13)14)6-11-10(15)12-7-3-2-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyPTEYOVSVEUZPTO-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds6

About 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid

4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid (PubChem CID 103153423) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
PubChem CID103153423
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)NC1CCC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-8(5-9(13)14)6-11-10(15)12-7-3-2-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyPTEYOVSVEUZPTO-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[(3-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114124064
4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158850
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103157367
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
CID 103157199
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
1-(cyanomethyl)-3-cyclobutylurea
CID 116658248

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid (CID 103153423) is 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid is COC(CNC(=O)NC1CCC1)CC(=O)O.
What is the InChIKey of 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid?
The InChIKey is PTEYOVSVEUZPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-8(5-9(13)14)6-11-10(15)12-7-3-2-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid?
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103153423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).