(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid

C12H20N4O3 — CID 78976359

IUPAC(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1[nH]ncc1CNC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-7(2)4-10(11(17)18)15-12(19)13-5-9-6-14-16-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)/t10-/m1/s1
InChIKeyNREDIRYXZCPNLJ-SNVBAGLBSA-N
MW268.32 g/mol
LogP1.02
Rot. Bonds6

About (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid

(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 78976359) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
PubChem CID78976359
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1[nH]ncc1CNC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-7(2)4-10(11(17)18)15-12(19)13-5-9-6-14-16-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)/t10-/m1/s1
InChIKeyNREDIRYXZCPNLJ-SNVBAGLBSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717749
(2S)-3,3-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982755
4-methyl-2-[(4-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114957104
4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
CID 122127632
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 115991283
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid (CID 78976359) is (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid is Cc1[nH]ncc1CNC(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is NREDIRYXZCPNLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-7(2)4-10(11(17)18)15-12(19)13-5-9-6-14-16-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 78976359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).