3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid

C12H20N4O3 — CID 65226677

IUPAC3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)N(C)Cc1cn[nH]c1)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-8(2)10(11(17)18)6-13-12(19)16(3)7-9-4-14-15-5-9/h4-5,8,10H,6-7H2,1-3H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyUYGWLIPOTJCRHG-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.91
Rot. Bonds6

About 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid

3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65226677) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65226677
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)N(C)Cc1cn[nH]c1)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-8(2)10(11(17)18)6-13-12(19)16(3)7-9-4-14-15-5-9/h4-5,8,10H,6-7H2,1-3H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyUYGWLIPOTJCRHG-UHFFFAOYSA-N
XLogP0.91
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid (CID 65226677) is 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid is CC(C)C(CNC(=O)N(C)Cc1cn[nH]c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is UYGWLIPOTJCRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)10(11(17)18)6-13-12(19)16(3)7-9-4-14-15-5-9/h4-5,8,10H,6-7H2,1-3H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65226677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).