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

C11H20N2O4 — CID 102865494

IUPAC3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(CCO)C1CCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(10(15)16)7-12-11(17)13(5-6-14)9-3-2-4-9/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyDNJCLSBDYARXTI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds6

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

3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 102865494) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID102865494
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(CCO)C1CCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(10(15)16)7-12-11(17)13(5-6-14)9-3-2-4-9/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyDNJCLSBDYARXTI-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[Cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 102865394
3-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 107481647
3-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 107481720
3-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 113964641
3-[[2-Methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 23588192
(2S)-2-[[2-cyclobutylethyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
CID 69930906
3-[Ethyl(2-hydroxyethyl)amino]-3-formamidopropanoic acid
CID 87498643
3-[[3-Aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
CID 90070597
3-[[Butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 122017804
2-[[Butyl(2-hydroxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 54948085
3-[[Butyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 54948087
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 54948191

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 102865494) is 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N(CCO)C1CCC1)C(=O)O.
What is the InChIKey of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is DNJCLSBDYARXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(10(15)16)7-12-11(17)13(5-6-14)9-3-2-4-9/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 102865494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).