2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

C12H18N4O3 — CID 54982089

IUPAC2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H18N4O3/c1-8-9(7-14-15-8)6-13-12(19)16-4-2-3-10(16)5-11(17)18/h7,10H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyLCUANXMAJKFYEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.87
Rot. Bonds4

About 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 54982089) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID54982089
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H18N4O3/c1-8-9(7-14-15-8)6-13-12(19)16-4-2-3-10(16)5-11(17)18/h7,10H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyLCUANXMAJKFYEJ-UHFFFAOYSA-N
XLogP0.87
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-6-oxohexanoic acid
CID 54896892
(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982040
2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 54982182
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 54982183
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 54982184
4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982231
6-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 54982276
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54982277
4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54982278
4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982322
3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982369
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 54982370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 54982089) is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is Cc1[nH]ncc1CNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is LCUANXMAJKFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-9(7-14-15-8)6-13-12(19)16-4-2-3-10(16)5-11(17)18/h7,10H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 54982089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).