2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid

C11H16N4O3 — CID 54982131

IUPAC2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(17)7-15(6-8-1-2-8)11(18)12-3-9-4-13-14-5-9/h4-5,8H,1-3,6-7H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyFVNHAOFFMYAALB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.42
Rot. Bonds6

About 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 54982131) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
PubChem CID54982131
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(17)7-15(6-8-1-2-8)11(18)12-3-9-4-13-14-5-9/h4-5,8H,1-3,6-7H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyFVNHAOFFMYAALB-UHFFFAOYSA-N
XLogP0.42
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid (CID 54982131) is 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is FVNHAOFFMYAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(17)7-15(6-8-1-2-8)11(18)12-3-9-4-13-14-5-9/h4-5,8H,1-3,6-7H2,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 54982131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).