(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid

C11H14N2O5 — CID 67093067

IUPAC(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1CC=CC=N1)C(=O)O
InChIInChI=1S/C11H14N2O5/c14-9(15)5-4-8(11(17)18)13-10(16)7-3-1-2-6-12-7/h1-2,6-8H,3-5H2,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyYAOZENFSDZYBMC-MQWKRIRWSA-N
MW254.24 g/mol
LogP-0.18
Rot. Bonds6

About (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid

(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid (PubChem CID 67093067) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid
PubChem CID67093067
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1CC=CC=N1)C(=O)O
InChIInChI=1S/C11H14N2O5/c14-9(15)5-4-8(11(17)18)13-10(16)7-3-1-2-6-12-7/h1-2,6-8H,3-5H2,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyYAOZENFSDZYBMC-MQWKRIRWSA-N
XLogP-0.18
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid (CID 67093067) is (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)C1CC=CC=N1)C(=O)O.
What is the InChIKey of (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid?
The InChIKey is YAOZENFSDZYBMC-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-9(15)5-4-8(11(17)18)13-10(16)7-3-1-2-6-12-7/h1-2,6-8H,3-5H2,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid?
(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid has a molecular weight of 254.24 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid is sourced from PubChem (CID 67093067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).