4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid

C13H23N3O4 — CID 107840634

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)NC1CCN2CCCC2C1
InChIInChI=1S/C13H23N3O4/c17-11(12(18)19)3-5-14-13(20)15-9-4-7-16-6-1-2-10(16)8-9/h9-11,17H,1-8H2,(H,18,19)(H2,14,15,20)
InChIKeyHFPJMHCCAPHYHK-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.25
Rot. Bonds5

About 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107840634) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107840634
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)NC1CCN2CCCC2C1
InChIInChI=1S/C13H23N3O4/c17-11(12(18)19)3-5-14-13(20)15-9-4-7-16-6-1-2-10(16)8-9/h9-11,17H,1-8H2,(H,18,19)(H2,14,15,20)
InChIKeyHFPJMHCCAPHYHK-UHFFFAOYSA-N
XLogP-0.25
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid with MolForge

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Related Compounds

4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103928209
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461
(2S)-2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841463
4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007130
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107033181
(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007449

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid (CID 107840634) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid is O=C(NCCC(O)C(=O)O)NC1CCN2CCCC2C1.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is HFPJMHCCAPHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-11(12(18)19)3-5-14-13(20)15-9-4-7-16-6-1-2-10(16)8-9/h9-11,17H,1-8H2,(H,18,19)(H2,14,15,20).
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107840634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).