2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid

C11H18N2O3 — CID 64617338

IUPAC2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCN(C(=O)CN1CC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-12(9-2-3-9)10(14)7-13-5-8(6-13)4-11(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyGQHOWENWAONHGR-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.01
Rot. Bonds5

About 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid

2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64617338) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64617338
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCN(C(=O)CN1CC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-12(9-2-3-9)10(14)7-13-5-8(6-13)4-11(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyGQHOWENWAONHGR-UHFFFAOYSA-N
XLogP0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64617338) is 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid is CN(C(=O)CN1CC(CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is GQHOWENWAONHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12(9-2-3-9)10(14)7-13-5-8(6-13)4-11(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).