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

C17H20N4O4 — CID 119224298

IUPAC2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)n1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)n1
InChIInChI=1S/C17H20N4O4/c1-11(2)21-8-7-14(20-21)17(25)19-13-5-3-12(4-6-13)9-15(22)18-10-16(23)24/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H,19,25)(H,23,24)
InChIKeyGHAZFCAGGPXKNC-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.46
Rot. Bonds7

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

2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224298) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224298
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)n1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)n1
InChIInChI=1S/C17H20N4O4/c1-11(2)21-8-7-14(20-21)17(25)19-13-5-3-12(4-6-13)9-15(22)18-10-16(23)24/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H,19,25)(H,23,24)
InChIKeyGHAZFCAGGPXKNC-UHFFFAOYSA-N
XLogP1.46
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222875
2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523442
2-[[2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224336
2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119232438
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
2-[[2-[4-(2,4-dimethylpent-4-enoylamino)phenyl]acetyl]amino]acetic acid
CID 120687097
2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224325
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224298) is 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid is CC(C)n1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)n1.
What is the InChIKey of 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is GHAZFCAGGPXKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11(2)21-8-7-14(20-21)17(25)19-13-5-3-12(4-6-13)9-15(22)18-10-16(23)24/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H,19,25)(H,23,24).
What are the key properties of 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).