2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid

C10H20N2O3 — CID 107142488

IUPAC2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
SMILESCOCCCCNC1(CC(=O)O)CNC1
InChIInChI=1S/C10H20N2O3/c1-15-5-3-2-4-12-10(6-9(13)14)7-11-8-10/h11-12H,2-8H2,1H3,(H,13,14)
InChIKeyAKDRGPMSADGOKG-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.18
Rot. Bonds8

About 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid

2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid (PubChem CID 107142488) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
PubChem CID107142488
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
SMILESCOCCCCNC1(CC(=O)O)CNC1
InChIInChI=1S/C10H20N2O3/c1-15-5-3-2-4-12-10(6-9(13)14)7-11-8-10/h11-12H,2-8H2,1H3,(H,13,14)
InChIKeyAKDRGPMSADGOKG-UHFFFAOYSA-N
XLogP-0.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(2,2-Difluoroethoxy)ethylamino]azetidin-3-yl]acetic acid
CID 105917461
2-[3-(4,4,4-Trifluorobutan-2-ylamino)azetidin-3-yl]acetic acid
CID 105942336
2-[3-[(2,2-Difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid
CID 106178230
2-[3-[Propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
CID 107141747
2-[3-(3,3,3-Trifluoropropylamino)azetidin-3-yl]acetic acid
CID 107142660
2-[3-(4,4,4-Trifluorobutylamino)azetidin-3-yl]acetic acid
CID 107142996
Ethyl 2-(3-aminoazetidin-3-yl)acetate
CID 66865276
3-[2-[(4-Methoxy-2-methyl-4-oxobutan-2-yl)amino]ethylamino]butanoic acid
CID 132162841
4-Amino-3-(tert-butylamino)butanoic acid
CID 105435854
3-Amino-4-(tert-butylamino)butanoic acid
CID 105435857
2-[3-(2,4-Dimethylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 105592018
2-[3-[3-(2-Methylpropoxy)propylamino]azetidin-3-yl]acetic acid
CID 105682193

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid (CID 107142488) is 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid is COCCCCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid?
The InChIKey is AKDRGPMSADGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-5-3-2-4-12-10(6-9(13)14)7-11-8-10/h11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid?
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid has a molecular weight of 216.28 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).