(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol

C10H16N2O2 — CID 61149855

IUPAC(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCc1ccccn1
InChIInChI=1S/C10H16N2O2/c13-8-10(14)7-11-6-4-9-3-1-2-5-12-9/h1-3,5,10-11,13-14H,4,6-8H2/t10-/m0/s1
InChIKeyBHYOLUHRPZDCRK-JTQLQIEISA-N
MW196.25 g/mol
LogP-0.43
Rot. Bonds6

About (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol

(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol (PubChem CID 61149855) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
PubChem CID61149855
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCc1ccccn1
InChIInChI=1S/C10H16N2O2/c13-8-10(14)7-11-6-4-9-3-1-2-5-12-9/h1-3,5,10-11,13-14H,4,6-8H2/t10-/m0/s1
InChIKeyBHYOLUHRPZDCRK-JTQLQIEISA-N
XLogP-0.43
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
3-(2-pyridin-2-ylethylsulfanyl)propane-1,2-diol
CID 79682874
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161
1-(9H-carbazol-1-yloxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 70083257
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol (CID 61149855) is (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol is OC[C@@H](O)CNCCc1ccccn1.
What is the InChIKey of (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol?
The InChIKey is BHYOLUHRPZDCRK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O2/c13-8-10(14)7-11-6-4-9-3-1-2-5-12-9/h1-3,5,10-11,13-14H,4,6-8H2/t10-/m0/s1.
What are the key properties of (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol?
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol is sourced from PubChem (CID 61149855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).