2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid

C11H20N2O3S — CID 116683567

IUPAC2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCSCCN(C)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3S/c1-8(10(14)15)9-6-13(7-9)11(16)12(2)4-5-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyWLVCYUSMQVGZDN-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.05
Rot. Bonds5

About 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683567) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683567
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCSCCN(C)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3S/c1-8(10(14)15)9-6-13(7-9)11(16)12(2)4-5-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyWLVCYUSMQVGZDN-UHFFFAOYSA-N
XLogP1.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683653
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683137
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683147
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
1-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 115986470
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682804
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
2-[1-[propan-2-yl(prop-2-enyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683533
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683567) is 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid is CSCCN(C)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is WLVCYUSMQVGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(10(14)15)9-6-13(7-9)11(16)12(2)4-5-17-3/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 260.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).