3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

C10H15N5O3 — CID 107323391

IUPAC3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C10H15N5O3/c11-10(9(17)18)2-5-14(7-10)8(16)1-4-15-6-3-12-13-15/h3,6H,1-2,4-5,7,11H2,(H,17,18)
InChIKeyLMVHTIYSVKRGLR-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.32
Rot. Bonds4

About 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 107323391) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID107323391
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C10H15N5O3/c11-10(9(17)18)2-5-14(7-10)8(16)1-4-15-6-3-12-13-15/h3,6H,1-2,4-5,7,11H2,(H,17,18)
InChIKeyLMVHTIYSVKRGLR-UHFFFAOYSA-N
XLogP-1.32
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 107322936
1-[3-(triazol-1-yl)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709415
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
(3aS,6aR)-2-[3-(triazol-1-yl)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681966
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one
CID 126797642
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 106982529
3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 114278479

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 107323391) is 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)CCn2ccnn2)C1.
What is the InChIKey of 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LMVHTIYSVKRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-10(9(17)18)2-5-14(7-10)8(16)1-4-15-6-3-12-13-15/h3,6H,1-2,4-5,7,11H2,(H,17,18).
What are the key properties of 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).