(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid

C19H26N4O4 — CID 120695407

IUPAC(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
SMILESCC1=NN(c2ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc2)CC1
InChIInChI=1S/C19H26N4O4/c1-12(2)10-16(19(26)27)21-17(24)11-20-18(25)14-4-6-15(7-5-14)23-9-8-13(3)22-23/h4-7,12,16H,8-11H2,1-3H3,(H,20,25)(H,21,24)(H,26,27)/t16-/m0/s1
InChIKeyWWJCUUGZHDXUKI-INIZCTEOSA-N
MW374.44 g/mol
LogP1.62
Rot. Bonds8

About (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid (PubChem CID 120695407) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
PubChem CID120695407
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
SMILESCC1=NN(c2ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc2)CC1
InChIInChI=1S/C19H26N4O4/c1-12(2)10-16(19(26)27)21-17(24)11-20-18(25)14-4-6-15(7-5-14)23-9-8-13(3)22-23/h4-7,12,16H,8-11H2,1-3H3,(H,20,25)(H,21,24)(H,26,27)/t16-/m0/s1
InChIKeyWWJCUUGZHDXUKI-INIZCTEOSA-N
XLogP1.62
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699746
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694973
(2S)-2-[[2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695148
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120694912
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695177

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid (CID 120695407) is (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid is CC1=NN(c2ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc2)CC1.
What is the InChIKey of (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid?
The InChIKey is WWJCUUGZHDXUKI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)10-16(19(26)27)21-17(24)11-20-18(25)14-4-6-15(7-5-14)23-9-8-13(3)22-23/h4-7,12,16H,8-11H2,1-3H3,(H,20,25)(H,21,24)(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid has a molecular weight of 374.44 g/mol, XLogP of 1.62, 8 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-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).