2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid

C14H24N2O4 — CID 63769474

IUPAC2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H24N2O4/c1-3-9(2)15(8-13(18)19)14(20)16-10-4-5-11(16)7-12(17)6-10/h9-12,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHOMQBWNZIIVCOS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds4

About 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid

2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid (PubChem CID 63769474) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
PubChem CID63769474
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H24N2O4/c1-3-9(2)15(8-13(18)19)14(20)16-10-4-5-11(16)7-12(17)6-10/h9-12,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHOMQBWNZIIVCOS-UHFFFAOYSA-N
XLogP1.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid with MolForge

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Related Compounds

N-ethyl-3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 79160645
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373
2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 102961951
2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-prop-2-enylamino]acetic acid
CID 79285230
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-3-oxopropanoic acid
CID 114898469
2-ethyl-1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 134454435
2-[[2-[carboxymethyl-[2-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]amino]cyclohexyl]-[2-[(5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]amino]acetic acid
CID 145143463
2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 107905266
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl(butan-2-yl)amino]acetic acid
CID 79943366
1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpentan-1-one
CID 134454469

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid (CID 63769474) is 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid?
The InChIKey is HOMQBWNZIIVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-9(2)15(8-13(18)19)14(20)16-10-4-5-11(16)7-12(17)6-10/h9-12,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid?
2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 63769474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).