(4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide

C12H20N2O3 — CID 175905399

IUPAC(4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide
SMILESNC(=O)C(CCN1C=CC=CC1)C[C@H](O)CO
InChIInChI=1S/C12H20N2O3/c13-12(17)10(8-11(16)9-15)4-7-14-5-2-1-3-6-14/h1-3,5,10-11,15-16H,4,6-9H2,(H2,13,17)/t10?,11-/m0/s1
InChIKeyXKJNMCWLCRFKQQ-DTIOYNMSSA-N
MW240.30 g/mol
LogP-0.39
Rot. Bonds7

About (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide

(4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide (PubChem CID 175905399) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide
PubChem CID175905399
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide
SMILESNC(=O)C(CCN1C=CC=CC1)C[C@H](O)CO
InChIInChI=1S/C12H20N2O3/c13-12(17)10(8-11(16)9-15)4-7-14-5-2-1-3-6-14/h1-3,5,10-11,15-16H,4,6-9H2,(H2,13,17)/t10?,11-/m0/s1
InChIKeyXKJNMCWLCRFKQQ-DTIOYNMSSA-N
XLogP-0.39
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide?
The IUPAC name of (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide (CID 175905399) is (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide.
What is the SMILES notation for (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide?
The canonical SMILES for (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide is NC(=O)C(CCN1C=CC=CC1)C[C@H](O)CO.
What is the InChIKey of (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide?
The InChIKey is XKJNMCWLCRFKQQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(17)10(8-11(16)9-15)4-7-14-5-2-1-3-6-14/h1-3,5,10-11,15-16H,4,6-9H2,(H2,13,17)/t10?,11-/m0/s1.
What are the key properties of (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide?
(4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide has a molecular weight of 240.30 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-dihydroxy-2-[2-(2H-pyridin-1-yl)ethyl]pentanamide is sourced from PubChem (CID 175905399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).