2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid

C10H19N3O2 — CID 107141762

IUPAC2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
SMILESNCC1CCN(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C10H19N3O2/c11-4-8-1-2-13(5-8)10(3-9(14)15)6-12-7-10/h8,12H,1-7,11H2,(H,14,15)
InChIKeyOXFAYXNQBZTNAU-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.92
Rot. Bonds4

About 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid

2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid (PubChem CID 107141762) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
PubChem CID107141762
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
SMILESNCC1CCN(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C10H19N3O2/c11-4-8-1-2-13(5-8)10(3-9(14)15)6-12-7-10/h8,12H,1-7,11H2,(H,14,15)
InChIKeyOXFAYXNQBZTNAU-UHFFFAOYSA-N
XLogP-0.92
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid (CID 107141762) is 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid is NCC1CCN(C2(CC(=O)O)CNC2)C1.
What is the InChIKey of 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid?
The InChIKey is OXFAYXNQBZTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-4-8-1-2-13(5-8)10(3-9(14)15)6-12-7-10/h8,12H,1-7,11H2,(H,14,15).
What are the key properties of 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid?
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).