4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid

C10H17N3O3 — CID 68728558

IUPAC4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid
SMILESNC(=O)C1CN(C(=O)O)CCC1N1CCC1
InChIInChI=1S/C10H17N3O3/c11-9(14)7-6-13(10(15)16)5-2-8(7)12-3-1-4-12/h7-8H,1-6H2,(H2,11,14)(H,15,16)
InChIKeyOWQPPFVQNUAEAE-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.45
Rot. Bonds2

About 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid

4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid (PubChem CID 68728558) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid
PubChem CID68728558
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid
SMILESNC(=O)C1CN(C(=O)O)CCC1N1CCC1
InChIInChI=1S/C10H17N3O3/c11-9(14)7-6-13(10(15)16)5-2-8(7)12-3-1-4-12/h7-8H,1-6H2,(H2,11,14)(H,15,16)
InChIKeyOWQPPFVQNUAEAE-UHFFFAOYSA-N
XLogP-0.45
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 154478252
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
(3S,4S)-4-(azetidin-1-yl)piperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 126970170
(3R,4S)-4-(azetidin-1-yl)piperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 133112906
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-carbamoyl-4-fluoropyrrolidine-1-carboxylic acid
CID 174864585
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
CID 142784571
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
3-piperidin-1-ylpiperidine-4-carboxamide
CID 154464995

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid (CID 68728558) is 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid is NC(=O)C1CN(C(=O)O)CCC1N1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid?
The InChIKey is OWQPPFVQNUAEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-9(14)7-6-13(10(15)16)5-2-8(7)12-3-1-4-12/h7-8H,1-6H2,(H2,11,14)(H,15,16).
What are the key properties of 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid?
4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).