2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C13H22N2O3 — CID 79608726

IUPAC2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC[C@@H](N)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C13H22N2O3/c1-2-11(14)13(18)15-9-3-4-10(15)6-8(5-9)7-12(16)17/h8-11H,2-7,14H2,1H3,(H,16,17)/t8?,9?,10?,11-/m1/s1
InChIKeyPXFFXDKNSUTKIW-AHELAYONSA-N
MW254.33 g/mol
LogP0.97
Rot. Bonds4

About 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79608726) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79608726
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC[C@@H](N)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C13H22N2O3/c1-2-11(14)13(18)15-9-3-4-10(15)6-8(5-9)7-12(16)17/h8-11H,2-7,14H2,1H3,(H,16,17)/t8?,9?,10?,11-/m1/s1
InChIKeyPXFFXDKNSUTKIW-AHELAYONSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229
2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 81092830
2-[8-[2-(carbamoylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615220
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
2-(8-but-3-enoyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79614997
2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615363
2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609426
2-[(1S,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 98126153

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79608726) is 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC[C@@H](N)C(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is PXFFXDKNSUTKIW-AHELAYONSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-11(14)13(18)15-9-3-4-10(15)6-8(5-9)7-12(16)17/h8-11H,2-7,14H2,1H3,(H,16,17)/t8?,9?,10?,11-/m1/s1.
What are the key properties of 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79608726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).