2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid

C13H21N5O3 — CID 66290632

IUPAC2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
SMILESCC(C)N1CCC(CNC(=O)c2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C13H21N5O3/c1-9(2)17-4-3-10(6-17)5-14-13(21)11-7-18(16-15-11)8-12(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyULHCAAGNLCVQOL-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.18
Rot. Bonds6

About 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid

2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid (PubChem CID 66290632) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
PubChem CID66290632
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
SMILESCC(C)N1CCC(CNC(=O)c2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C13H21N5O3/c1-9(2)17-4-3-10(6-17)5-14-13(21)11-7-18(16-15-11)8-12(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyULHCAAGNLCVQOL-UHFFFAOYSA-N
XLogP-0.18
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
CID 61216005
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
5-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 107374811
4-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 47082393
6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95388376
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 61208730
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]triazol-1-yl]acetic acid
CID 82949755
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
6-(ethylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 62238644
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid (CID 66290632) is 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid is CC(C)N1CCC(CNC(=O)c2cn(CC(=O)O)nn2)C1.
What is the InChIKey of 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
The InChIKey is ULHCAAGNLCVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)17-4-3-10(6-17)5-14-13(21)11-7-18(16-15-11)8-12(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,14,21)(H,19,20).
What are the key properties of 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid?
2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66290632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).