2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid

C14H25N3O3 — CID 116682804

IUPAC2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O3/c1-10(13(18)19)11-8-17(9-11)14(20)16(3)12-4-6-15(2)7-5-12/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyDGVVOSQSXFQGBK-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.78
Rot. Bonds3

About 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116682804) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116682804
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O3/c1-10(13(18)19)11-8-17(9-11)14(20)16(3)12-4-6-15(2)7-5-12/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyDGVVOSQSXFQGBK-UHFFFAOYSA-N
XLogP0.78
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 79406516
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683147
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683653
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781
N-cyclopropyl-N,3-dimethylpyrrolidine-1-carboxamide
CID 131154116
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
CID 116683311
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683567
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116682804) is 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)N(C)C2CCN(C)CC2)C1.
What is the InChIKey of 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is DGVVOSQSXFQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(13(18)19)11-8-17(9-11)14(20)16(3)12-4-6-15(2)7-5-12/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).