2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid

C11H18N2O3 — CID 64616011

IUPAC2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCC(NC(=O)N1CC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-7(9-2-3-9)12-11(16)13-5-8(6-13)4-10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyXDBFXGLJWMNZNI-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds4

About 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64616011) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64616011
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCC(NC(=O)N1CC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-7(9-2-3-9)12-11(16)13-5-8(6-13)4-10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyXDBFXGLJWMNZNI-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608122
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618276
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616284
2-[1-(hex-1-yn-3-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 106232396
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 64616867
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
CID 83147525

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid (CID 64616011) is 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid is CC(NC(=O)N1CC(CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is XDBFXGLJWMNZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(9-2-3-9)12-11(16)13-5-8(6-13)4-10(14)15/h7-9H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).