2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid

C8H15N3O3 — CID 107141523

IUPAC2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid
SMILESCN(CC(N)=O)C1(CC(=O)O)CNC1
InChIInChI=1S/C8H15N3O3/c1-11(3-6(9)12)8(2-7(13)14)4-10-5-8/h10H,2-5H2,1H3,(H2,9,12)(H,13,14)
InChIKeyVCYMXGMXFWKBMA-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.78
Rot. Bonds5

About 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid

2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid (PubChem CID 107141523) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid
PubChem CID107141523
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid
SMILESCN(CC(N)=O)C1(CC(=O)O)CNC1
InChIInChI=1S/C8H15N3O3/c1-11(3-6(9)12)8(2-7(13)14)4-10-5-8/h10H,2-5H2,1H3,(H2,9,12)(H,13,14)
InChIKeyVCYMXGMXFWKBMA-UHFFFAOYSA-N
XLogP-1.78
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid
CID 107141931
2-[3-(dipropylamino)azetidin-3-yl]acetic acid
CID 107141441
2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
CID 107141497
2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
CID 107141511
2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid
CID 107141687
2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid
CID 107870310
2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
CID 107141742
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
2-(3-methoxyazetidin-3-yl)acetic acid
CID 105428756

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid (CID 107141523) is 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid is CN(CC(N)=O)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid?
The InChIKey is VCYMXGMXFWKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-11(3-6(9)12)8(2-7(13)14)4-10-5-8/h10H,2-5H2,1H3,(H2,9,12)(H,13,14).
What are the key properties of 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid?
2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid has a molecular weight of 201.23 g/mol, XLogP of -1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).