2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid

C17H20N4O4 — CID 120524711

IUPAC2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C17H20N4O4/c1-13(22)20(9-7-14-5-3-2-4-6-14)11-16(23)18-15-8-10-21(19-15)12-17(24)25/h2-6,8,10H,7,9,11-12H2,1H3,(H,24,25)(H,18,19,23)
InChIKeyKHOJFNYNYODXSO-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.00
Rot. Bonds8

About 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 120524711) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID120524711
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C17H20N4O4/c1-13(22)20(9-7-14-5-3-2-4-6-14)11-16(23)18-15-8-10-21(19-15)12-17(24)25/h2-6,8,10H,7,9,11-12H2,1H3,(H,24,25)(H,18,19,23)
InChIKeyKHOJFNYNYODXSO-UHFFFAOYSA-N
XLogP1.00
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230920
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230954
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038
2-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 119230981
2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696902
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 120512417
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid (CID 120524711) is 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid is CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is KHOJFNYNYODXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-13(22)20(9-7-14-5-3-2-4-6-14)11-16(23)18-15-8-10-21(19-15)12-17(24)25/h2-6,8,10H,7,9,11-12H2,1H3,(H,24,25)(H,18,19,23).
What are the key properties of 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 120524711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).