(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol

C9H19NO3 — CID 61141174

IUPAC(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
SMILESOC[C@@H](O)CNCCC1CCCO1
InChIInChI=1S/C9H19NO3/c11-7-8(12)6-10-4-3-9-2-1-5-13-9/h8-12H,1-7H2/t8-,9?/m0/s1
InChIKeyYQRYOPGRDZUBFS-IENPIDJESA-N
MW189.25 g/mol
LogP-0.50
Rot. Bonds6

About (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol

(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol (PubChem CID 61141174) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
PubChem CID61141174
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
SMILESOC[C@@H](O)CNCCC1CCCO1
InChIInChI=1S/C9H19NO3/c11-7-8(12)6-10-4-3-9-2-1-5-13-9/h8-12H,1-7H2/t8-,9?/m0/s1
InChIKeyYQRYOPGRDZUBFS-IENPIDJESA-N
XLogP-0.50
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.50
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

1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
CID 107152092
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455
4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile
CID 54916878
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
CID 114135927
1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106494643

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol (CID 61141174) is (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol is OC[C@@H](O)CNCCC1CCCO1.
What is the InChIKey of (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol?
The InChIKey is YQRYOPGRDZUBFS-IENPIDJESA-N. The full InChI is InChI=1S/C9H19NO3/c11-7-8(12)6-10-4-3-9-2-1-5-13-9/h8-12H,1-7H2/t8-,9?/m0/s1.
What are the key properties of (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol?
(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 61141174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).