(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid

C14H23N3O3 — CID 119363452

IUPAC(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cn(C)nc1C(C)C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8(2)6-11(14(19)20)15-13(18)10-7-17(5)16-12(10)9(3)4/h7-9,11H,6H2,1-5H3,(H,15,18)(H,19,20)/t11-/m1/s1
InChIKeyARLGTAMPOAIHPN-LLVKDONJSA-N
MW281.36 g/mol
LogP1.77
Rot. Bonds6

About (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 119363452) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID119363452
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cn(C)nc1C(C)C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8(2)6-11(14(19)20)15-13(18)10-7-17(5)16-12(10)9(3)4/h7-9,11H,6H2,1-5H3,(H,15,18)(H,19,20)/t11-/m1/s1
InChIKeyARLGTAMPOAIHPN-LLVKDONJSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 115991283
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
CID 119362063
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
CID 162868036
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid (CID 119363452) is (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1cn(C)nc1C(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is ARLGTAMPOAIHPN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(2)6-11(14(19)20)15-13(18)10-7-17(5)16-12(10)9(3)4/h7-9,11H,6H2,1-5H3,(H,15,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).