2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid

C20H26N4O4 — CID 120523442

IUPAC2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCC(CC)n1nc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1C
InChIInChI=1S/C20H26N4O4/c1-4-16(5-2)24-13(3)10-17(23-24)20(28)22-15-8-6-14(7-9-15)11-18(25)21-12-19(26)27/h6-10,16H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,28)(H,26,27)
InChIKeyMGOCOOOMXBCKOK-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.55
Rot. Bonds9

About 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 120523442) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID120523442
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCC(CC)n1nc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1C
InChIInChI=1S/C20H26N4O4/c1-4-16(5-2)24-13(3)10-17(23-24)20(28)22-15-8-6-14(7-9-15)11-18(25)21-12-19(26)27/h6-10,16H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,28)(H,26,27)
InChIKeyMGOCOOOMXBCKOK-UHFFFAOYSA-N
XLogP2.55
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 120522620
2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224298
3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 120538133
2-[[2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224336
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
(3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 120531564
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
CID 120528822
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
2-[[2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224270

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 120523442) is 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid is CCC(CC)n1nc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1C.
What is the InChIKey of 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is MGOCOOOMXBCKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-4-16(5-2)24-13(3)10-17(23-24)20(28)22-15-8-6-14(7-9-15)11-18(25)21-12-19(26)27/h6-10,16H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,28)(H,26,27).
What are the key properties of 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120523442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).