2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid

C14H19N3O4 — CID 116683489

IUPAC2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCOc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cn1
InChIInChI=1S/C14H19N3O4/c1-3-21-12-5-4-11(6-15-12)16-14(20)17-7-10(8-17)9(2)13(18)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKGQPCECXGLYMJD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.66
Rot. Bonds5

About 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683489) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683489
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCOc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cn1
InChIInChI=1S/C14H19N3O4/c1-3-21-12-5-4-11(6-15-12)16-14(20)17-7-10(8-17)9(2)13(18)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKGQPCECXGLYMJD-UHFFFAOYSA-N
XLogP1.66
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682807
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
2-[1-[[4-(cyanomethyl)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683256
N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126781942
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 98349135
4-ethoxy-N-[6-(2-phenylethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 126792921

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683489) is 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid is CCOc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cn1.
What is the InChIKey of 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is KGQPCECXGLYMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-12-5-4-11(6-15-12)16-14(20)17-7-10(8-17)9(2)13(18)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).