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

C13H17N3O3 — CID 64618419

IUPAC2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCC(NC(=O)N1CC(CC(=O)O)C1)c1ccccn1
InChIInChI=1S/C13H17N3O3/c1-9(11-4-2-3-5-14-11)15-13(19)16-7-10(8-16)6-12(17)18/h2-5,9-10H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHITCRMKAGDSFLT-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.26
Rot. Bonds4

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

2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64618419) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64618419
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCC(NC(=O)N1CC(CC(=O)O)C1)c1ccccn1
InChIInChI=1S/C13H17N3O3/c1-9(11-4-2-3-5-14-11)15-13(19)16-7-10(8-16)6-12(17)18/h2-5,9-10H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHITCRMKAGDSFLT-UHFFFAOYSA-N
XLogP1.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686
2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780714
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634096
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
CID 104570205
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid (CID 64618419) is 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid is CC(NC(=O)N1CC(CC(=O)O)C1)c1ccccn1.
What is the InChIKey of 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is HITCRMKAGDSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(11-4-2-3-5-14-11)15-13(19)16-7-10(8-16)6-12(17)18/h2-5,9-10H,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).