2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid

C11H17N5O3 — CID 113413120

IUPAC2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C11H17N5O3/c17-10(18)6-9-7-15(8-9)11(19)12-2-1-4-16-5-3-13-14-16/h3,5,9H,1-2,4,6-8H2,(H,12,19)(H,17,18)
InChIKeyCQOZWSYJXPHUDP-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.22
Rot. Bonds6

About 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 113413120) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID113413120
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C11H17N5O3/c17-10(18)6-9-7-15(8-9)11(19)12-2-1-4-16-5-3-13-14-16/h3,5,9H,1-2,4,6-8H2,(H,12,19)(H,17,18)
InChIKeyCQOZWSYJXPHUDP-UHFFFAOYSA-N
XLogP-0.22
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aR)-2-[3-(triazol-1-yl)propylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122009730
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(triazol-1-yl)propyl]piperidine-1-carboxamide
CID 132971404
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
CID 113412805
(3aS,6aS)-5-methyl-N-[3-(triazol-1-yl)propyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133117954
3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 113412815
2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619007

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid (CID 113413120) is 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)NCCCn2ccnn2)C1.
What is the InChIKey of 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is CQOZWSYJXPHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-10(18)6-9-7-15(8-9)11(19)12-2-1-4-16-5-3-13-14-16/h3,5,9H,1-2,4,6-8H2,(H,12,19)(H,17,18).
What are the key properties of 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 113413120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).