2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid

C13H20N2O3 — CID 64605196

IUPAC2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
SMILESNC1C2CCC(C2)C1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H20N2O3/c14-12-9-2-1-8(4-9)11(12)13(18)15-5-7(6-15)3-10(16)17/h7-9,11-12H,1-6,14H2,(H,16,17)
InChIKeyHDXZZANLXMMSDD-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.29
Rot. Bonds3

About 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64605196) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64605196
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
SMILESNC1C2CCC(C2)C1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H20N2O3/c14-12-9-2-1-8(4-9)11(12)13(18)15-5-7(6-15)3-10(16)17/h7-9,11-12H,1-6,14H2,(H,16,17)
InChIKeyHDXZZANLXMMSDD-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894699
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-3-yl]methyl]acetamide
CID 119746028
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896677
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 81099407
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid (CID 64605196) is 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid is NC1C2CCC(C2)C1C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is HDXZZANLXMMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-12-9-2-1-8(4-9)11(12)13(18)15-5-7(6-15)3-10(16)17/h7-9,11-12H,1-6,14H2,(H,16,17).
What are the key properties of 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).