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

C13H13N3O4 — CID 51606533

IUPAC(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O
InChIInChI=1S/C13H13N3O4/c1-7(13(19)20)14-11(17)6-10-8-4-2-3-5-9(8)12(18)16-15-10/h2-5,7H,6H2,1H3,(H,14,17)(H,16,18)(H,19,20)/t7-/m0/s1
InChIKeyALXSMFRBJYNMQU-ZETCQYMHSA-N
MW275.26 g/mol
LogP0.05
Rot. Bonds4

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

(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid (PubChem CID 51606533) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
PubChem CID51606533
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O
InChIInChI=1S/C13H13N3O4/c1-7(13(19)20)14-11(17)6-10-8-4-2-3-5-9(8)12(18)16-15-10/h2-5,7H,6H2,1H3,(H,14,17)(H,16,18)(H,19,20)/t7-/m0/s1
InChIKeyALXSMFRBJYNMQU-ZETCQYMHSA-N
XLogP0.05
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45370778
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517
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
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid (CID 51606533) is (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid is C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is ALXSMFRBJYNMQU-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7(13(19)20)14-11(17)6-10-8-4-2-3-5-9(8)12(18)16-15-10/h2-5,7H,6H2,1H3,(H,14,17)(H,16,18)(H,19,20)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 51606533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).