2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid

C11H17N5O3 — CID 116682183

IUPAC2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cn(CCN)nn2)C1
InChIInChI=1S/C11H17N5O3/c1-7(11(18)19)8-4-15(5-8)10(17)9-6-16(3-2-12)14-13-9/h6-8H,2-5,12H2,1H3,(H,18,19)
InChIKeyGMKJJLXOPQAJQW-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.97
Rot. Bonds5

About 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid

2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 116682183) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid
PubChem CID116682183
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cn(CCN)nn2)C1
InChIInChI=1S/C11H17N5O3/c1-7(11(18)19)8-4-15(5-8)10(17)9-6-16(3-2-12)14-13-9/h6-8H,2-5,12H2,1H3,(H,18,19)
InChIKeyGMKJJLXOPQAJQW-UHFFFAOYSA-N
XLogP-0.97
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450
[1-(2-aminoethyl)triazol-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone;hydrochloride
CID 154897518
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589213
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589215
[1-(2-aminoethyl)triazol-4-yl]-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 56879098
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 119483631
1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide
CID 103195300
(4aS,8aR)-6-[1-(2-aminoethyl)triazole-4-carbonyl]-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56892480
1-[1-(3-methylbutyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354717
2-[1-(2H-triazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116681175
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
CID 154895422

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid (CID 116682183) is 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2cn(CCN)nn2)C1.
What is the InChIKey of 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is GMKJJLXOPQAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(11(18)19)8-4-15(5-8)10(17)9-6-16(3-2-12)14-13-9/h6-8H,2-5,12H2,1H3,(H,18,19).
What are the key properties of 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid?
2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 267.29 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).