4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid

C12H22N2O5 — CID 103160140

IUPAC4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N(CCO)C1CCC1)CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-19-10(7-11(16)17)8-13-12(18)14(5-6-15)9-3-2-4-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyJAYJGHMWDZNOKA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds8

About 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid

4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid (PubChem CID 103160140) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
PubChem CID103160140
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N(CCO)C1CCC1)CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-19-10(7-11(16)17)8-13-12(18)14(5-6-15)9-3-2-4-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyJAYJGHMWDZNOKA-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
(2S)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 102865708
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
CID 114227148
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158823
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
CID 103157199
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069043
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid (CID 103160140) is 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)N(CCO)C1CCC1)CC(=O)O.
What is the InChIKey of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid?
The InChIKey is JAYJGHMWDZNOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-19-10(7-11(16)17)8-13-12(18)14(5-6-15)9-3-2-4-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid?
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103160140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).