4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid

C15H26N2O4 — CID 63770540

IUPAC4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H26N2O4/c1-10(2)16(7-3-4-14(19)20)15(21)17-11-5-6-12(17)9-13(18)8-11/h10-13,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyYDRYFSMTKWUTAA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.67
Rot. Bonds5

About 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid

4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 63770540) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID63770540
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H26N2O4/c1-10(2)16(7-3-4-14(19)20)15(21)17-11-5-6-12(17)9-13(18)8-11/h10-13,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyYDRYFSMTKWUTAA-UHFFFAOYSA-N
XLogP1.67
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid with MolForge

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Related Compounds

2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
CID 63769474
N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 79160645
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 61409902
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498445
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63162238
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189767
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid (CID 63770540) is 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is YDRYFSMTKWUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)16(7-3-4-14(19)20)15(21)17-11-5-6-12(17)9-13(18)8-11/h10-13,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 63770540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).