(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid

C14H16N2O7 — CID 141307774

IUPAC(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
SMILESCC(=O)c1cccn(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)c1=O
InChIInChI=1S/C14H16N2O7/c1-8(17)9-3-2-6-16(13(9)21)7-11(18)15-10(14(22)23)4-5-12(19)20/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)(H,19,20)(H,22,23)/t10-/m0/s1
InChIKeyUSFMVFUQDDAPBI-JTQLQIEISA-N
MW324.29 g/mol
LogP-0.51
Rot. Bonds8

About (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid

(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid (PubChem CID 141307774) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
PubChem CID141307774
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
SMILESCC(=O)c1cccn(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)c1=O
InChIInChI=1S/C14H16N2O7/c1-8(17)9-3-2-6-16(13(9)21)7-11(18)15-10(14(22)23)4-5-12(19)20/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)(H,19,20)(H,22,23)/t10-/m0/s1
InChIKeyUSFMVFUQDDAPBI-JTQLQIEISA-N
XLogP-0.51
TPSA142.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid with MolForge

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Related Compounds

2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid
CID 54926831
(2S)-2-(1,2-dihydropyridine-2-carbonylamino)pentanedioic acid
CID 67092571
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid
CID 69473273
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-6-aminohexanoic acid
CID 141307771
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 141307772
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoic acid
CID 141307778
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 141307779
(2S,3S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
CID 141307784
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 141307794
2-[[2-(3-Acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
CID 174666957
2-[[2-(3-Acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 174678904
5-Amino-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-5-oxopentanoic acid
CID 43358702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid (CID 141307774) is (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid is CC(=O)c1cccn(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
The InChIKey is USFMVFUQDDAPBI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O7/c1-8(17)9-3-2-6-16(13(9)21)7-11(18)15-10(14(22)23)4-5-12(19)20/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)(H,19,20)(H,22,23)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid?
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid has a molecular weight of 324.29 g/mol, XLogP of -0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 141307774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).