2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid

C15H30N2O2 — CID 107870310

IUPAC2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)CCN(CCC(C)C)C1(CC(=O)O)CNC1
InChIInChI=1S/C15H30N2O2/c1-12(2)5-7-17(8-6-13(3)4)15(9-14(18)19)10-16-11-15/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyMKJCVLIOCSIODO-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.20
Rot. Bonds9

About 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid

2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107870310) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid
PubChem CID107870310
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)CCN(CCC(C)C)C1(CC(=O)O)CNC1
InChIInChI=1S/C15H30N2O2/c1-12(2)5-7-17(8-6-13(3)4)15(9-14(18)19)10-16-11-15/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyMKJCVLIOCSIODO-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
CID 107141511
2-[3-(dipropylamino)azetidin-3-yl]acetic acid
CID 107141441
2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid
CID 107141687
2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
CID 107141742
2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid
CID 107141523
2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
CID 107141497
2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid
CID 107140761
2-(3-propan-2-ylsulfanylazetidin-3-yl)acetic acid
CID 107141118
2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid
CID 107141931
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-(3-methoxyazetidin-3-yl)acetic acid
CID 105428756
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid (CID 107870310) is 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid is CC(C)CCN(CCC(C)C)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is MKJCVLIOCSIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)5-7-17(8-6-13(3)4)15(9-14(18)19)10-16-11-15/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid?
2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 270.42 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107870310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).