4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid

C12H20N4O3 — CID 62047810

IUPAC4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H20N4O3/c1-8-9(7-14-16-8)6-13-11(19)15-12(2,3)5-4-10(17)18/h7H,4-6H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyGMMQVAPFKSIDGX-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.16
Rot. Bonds6

About 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid

4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 62047810) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
PubChem CID62047810
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H20N4O3/c1-8-9(7-14-16-8)6-13-11(19)15-12(2,3)5-4-10(17)18/h7H,4-6H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyGMMQVAPFKSIDGX-UHFFFAOYSA-N
XLogP1.16
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid
CID 62048003
4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 62048340
(2S)-3,3-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982755
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463639
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
2,2-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 65302432
2-methyl-2-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 62846720
(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 78976359
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid (CID 62047810) is 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid is Cc1[nH]ncc1CNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is GMMQVAPFKSIDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-9(7-14-16-8)6-13-11(19)15-12(2,3)5-4-10(17)18/h7H,4-6H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 62047810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).