(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol

C8H18N2O3 — CID 143986919

IUPAC(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol
SMILESCOC1COC(CNCCN)[C@H]1O
InChIInChI=1S/C8H18N2O3/c1-12-7-5-13-6(8(7)11)4-10-3-2-9/h6-8,10-11H,2-5,9H2,1H3/t6?,7?,8-/m1/s1
InChIKeyNWQJHKYJHNRFLQ-KAVNDROISA-N
MW190.24 g/mol
LogP-1.69
Rot. Bonds5

About (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol

(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol (PubChem CID 143986919) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol
PubChem CID143986919
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol
SMILESCOC1COC(CNCCN)[C@H]1O
InChIInChI=1S/C8H18N2O3/c1-12-7-5-13-6(8(7)11)4-10-3-2-9/h6-8,10-11H,2-5,9H2,1H3/t6?,7?,8-/m1/s1
InChIKeyNWQJHKYJHNRFLQ-KAVNDROISA-N
XLogP-1.69
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-[(2-aminoethylamino)methyl]-4-methyloxolan-3-ol
CID 58527557
N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
CID 175555316
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
5-methoxyoxane-2,3,4-triol
CID 560177
CID 89141546
CID 89141546
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 10943643
(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
CID 14564498
(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 159974323
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
CID 130359987
(3R,4R,5S)-4-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolane-2,3-diol
CID 91845536

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol?
The IUPAC name of (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol (CID 143986919) is (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol.
What is the SMILES notation for (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol?
The canonical SMILES for (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol is COC1COC(CNCCN)[C@H]1O.
What is the InChIKey of (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol?
The InChIKey is NWQJHKYJHNRFLQ-KAVNDROISA-N. The full InChI is InChI=1S/C8H18N2O3/c1-12-7-5-13-6(8(7)11)4-10-3-2-9/h6-8,10-11H,2-5,9H2,1H3/t6?,7?,8-/m1/s1.
What are the key properties of (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol?
(3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol has a molecular weight of 190.24 g/mol, XLogP of -1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(2-aminoethylamino)methyl]-4-methoxyoxolan-3-ol is sourced from PubChem (CID 143986919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).