(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid

C13H20N4O4 — CID 120694502

IUPAC(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C13H20N4O4/c1-8(2)6-9(13(20)21)16-11(18)7-14-12(19)10-4-5-15-17(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)(H,16,18)(H,20,21)/t9-/m0/s1
InChIKeyVEVBOUWZTWWWDO-VIFPVBQESA-N
MW296.33 g/mol
LogP-0.23
Rot. Bonds7

About (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120694502) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID120694502
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C13H20N4O4/c1-8(2)6-9(13(20)21)16-11(18)7-14-12(19)10-4-5-15-17(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)(H,16,18)(H,20,21)/t9-/m0/s1
InChIKeyVEVBOUWZTWWWDO-VIFPVBQESA-N
XLogP-0.23
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695177
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
(2S)-2-[[2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694679
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945696
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694973

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120694502) is (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)CNC(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is VEVBOUWZTWWWDO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8(2)6-9(13(20)21)16-11(18)7-14-12(19)10-4-5-15-17(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)(H,16,18)(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 296.33 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120694502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).