3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid

C16H19N3O4 — CID 53368322

IUPAC3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)9-19-15(21)12-7-5-4-6-11(12)8-17-19/h4-8,10,14H,3,9H2,1-2H3,(H,18,20)(H,22,23)
InChIKeySEAFFYSOKRKJIE-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.01
Rot. Bonds6

About 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid

3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid (PubChem CID 53368322) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
PubChem CID53368322
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)9-19-15(21)12-7-5-4-6-11(12)8-17-19/h4-8,10,14H,3,9H2,1-2H3,(H,18,20)(H,22,23)
InChIKeySEAFFYSOKRKJIE-UHFFFAOYSA-N
XLogP1.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574790
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 52606481
2-(1-oxophthalazin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46569616
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 70746163
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 97131820
2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 134048724
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid (CID 53368322) is 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid is CCC(C)C(NC(=O)Cn1ncc2ccccc2c1=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid?
The InChIKey is SEAFFYSOKRKJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)9-19-15(21)12-7-5-4-6-11(12)8-17-19/h4-8,10,14H,3,9H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid?
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 53368322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).