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

C10H16F2N2O3 — CID 116683653

IUPAC2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)N(C)CC(F)F)C1
InChIInChI=1S/C10H16F2N2O3/c1-6(9(15)16)7-3-14(4-7)10(17)13(2)5-8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyKDJIORHSSFCBLM-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.96
Rot. Bonds4

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

2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683653) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683653
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)N(C)CC(F)F)C1
InChIInChI=1S/C10H16F2N2O3/c1-6(9(15)16)7-3-14(4-7)10(17)13(2)5-8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyKDJIORHSSFCBLM-UHFFFAOYSA-N
XLogP0.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683567
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
(2S)-1-[2,2-difluoroethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104871074
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682804
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
2-[1-[propan-2-yl(prop-2-enyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683533
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683653) is 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)N(C)CC(F)F)C1.
What is the InChIKey of 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is KDJIORHSSFCBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-6(9(15)16)7-3-14(4-7)10(17)13(2)5-8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 250.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).