(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid

C14H14N4O5 — CID 133269517

IUPAC(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O
InChIInChI=1S/C14H14N4O5/c15-11(19)5-10(14(22)23)16-12(20)6-9-7-3-1-2-4-8(7)13(21)18-17-9/h1-4,10H,5-6H2,(H2,15,19)(H,16,20)(H,18,21)(H,22,23)/t10-/m1/s1
InChIKeyCSUXLPUXNKALMB-SNVBAGLBSA-N
MW318.29 g/mol
LogP-1.09
Rot. Bonds6

About (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid

(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid (PubChem CID 133269517) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
PubChem CID133269517
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O
InChIInChI=1S/C14H14N4O5/c15-11(19)5-10(14(22)23)16-12(20)6-9-7-3-1-2-4-8(7)13(21)18-17-9/h1-4,10H,5-6H2,(H2,15,19)(H,16,20)(H,18,21)(H,22,23)/t10-/m1/s1
InChIKeyCSUXLPUXNKALMB-SNVBAGLBSA-N
XLogP-1.09
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
CID 17472409
(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid
CID 107821081
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 34078536
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45370778
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
propan-2-yl 3-(4-methylphenyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate
CID 42920378

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid (CID 133269517) is (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid is NC(=O)C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is CSUXLPUXNKALMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O5/c15-11(19)5-10(14(22)23)16-12(20)6-9-7-3-1-2-4-8(7)13(21)18-17-9/h1-4,10H,5-6H2,(H2,15,19)(H,16,20)(H,18,21)(H,22,23)/t10-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 318.29 g/mol, XLogP of -1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 133269517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).