4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid

C11H20N2O4 — CID 107841143

IUPAC4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCC1(NC(=O)NCCC(O)C(=O)O)CCC1
InChIInChI=1S/C11H20N2O4/c1-2-11(5-3-6-11)13-10(17)12-7-4-8(14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyQCBSBZCBTCXNRV-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds6

About 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid

4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107841143) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107841143
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCC1(NC(=O)NCCC(O)C(=O)O)CCC1
InChIInChI=1S/C11H20N2O4/c1-2-11(5-3-6-11)13-10(17)12-7-4-8(14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyQCBSBZCBTCXNRV-UHFFFAOYSA-N
XLogP0.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841146
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
CID 113488992
(2S)-4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 114006870
4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107836020
2-hydroxy-4-[(1-methylsulfanylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 114117173
3-[(1-ethylcyclobutyl)amino]-2-methyl-3-oxopropanoic acid
CID 114899021
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 107831122
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107841143) is 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid is CCC1(NC(=O)NCCC(O)C(=O)O)CCC1.
What is the InChIKey of 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is QCBSBZCBTCXNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-11(5-3-6-11)13-10(17)12-7-4-8(14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107841143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).