2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid

C10H20N2O2 — CID 107142077

IUPAC2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
SMILESCC(C)C(C)NC1(CC(=O)O)CNC1
InChIInChI=1S/C10H20N2O2/c1-7(2)8(3)12-10(4-9(13)14)5-11-6-10/h7-8,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXNFMWUOYSWSXSF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.44
Rot. Bonds5

About 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid

2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107142077) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
PubChem CID107142077
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
SMILESCC(C)C(C)NC1(CC(=O)O)CNC1
InChIInChI=1S/C10H20N2O2/c1-7(2)8(3)12-10(4-9(13)14)5-11-6-10/h7-8,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXNFMWUOYSWSXSF-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
CID 107143176
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142528
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142581
2-[3-(3-methylbutan-2-ylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142076
2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
CID 107142914
2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid
CID 107142609
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid
CID 107142446
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid (CID 107142077) is 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid is CC(C)C(C)NC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is XNFMWUOYSWSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)8(3)12-10(4-9(13)14)5-11-6-10/h7-8,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid?
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).