(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid

C11H17N3O3 — CID 28742395

IUPAC(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(2)4-9(11(16)17)13-10(15)8-5-12-14(3)6-8/h5-7,9H,4H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyAYFMILSUWWETPK-VIFPVBQESA-N
MW239.28 g/mol
LogP0.65
Rot. Bonds5

About (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 28742395) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID28742395
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(2)4-9(11(16)17)13-10(15)8-5-12-14(3)6-8/h5-7,9H,4H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyAYFMILSUWWETPK-VIFPVBQESA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
(2S)-2-[[1-(4-bromophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119360980
1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143318
(2R)-4-methyl-2-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]pentanoic acid
CID 78975582
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695177
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid (CID 28742395) is (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is AYFMILSUWWETPK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)4-9(11(16)17)13-10(15)8-5-12-14(3)6-8/h5-7,9H,4H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 239.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28742395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).