(3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol

C9H19NO3 — CID 126846647

IUPAC(3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol
SMILESCCOCCCN[C@@H]1COC[C@H]1O
InChIInChI=1S/C9H19NO3/c1-2-12-5-3-4-10-8-6-13-7-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyAAAVKCQDGBTNNJ-RKDXNWHRSA-N
MW189.25 g/mol
LogP-0.24
Rot. Bonds6

About (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol

(3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol (PubChem CID 126846647) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol
PubChem CID126846647
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol
SMILESCCOCCCN[C@@H]1COC[C@H]1O
InChIInChI=1S/C9H19NO3/c1-2-12-5-3-4-10-8-6-13-7-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyAAAVKCQDGBTNNJ-RKDXNWHRSA-N
XLogP-0.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Propanol, 1-butoxy-3-((1-methylethyl)amino)-
CID 3067037
1-Butoxy-3-(tert-butylamino)propan-2-ol
CID 3067038
2-Propanol, 1-(2-methylbutoxy)-3-((1-methylethyl)amino)-
CID 3067041
(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol
CID 57390610
(2S,3S,4S)-4-amino-2-[(heptylamino)methyl]oxolan-3-ol
CID 145971337
(2S,3R,4S)-4-amino-2-[(heptylamino)methyl]oxolan-3-ol
CID 145976067
3-(Tert-butoxy)-1-[(methylethyl)amino]propan-2-ol
CID 16456253
(3S,4R)-4-(methylamino)oxolan-3-ol
CID 89143979
rac-(3R,4S)-4-(piperazin-1-yl)oxolan-3-ol
CID 126846592
(2S,3R,4R)-4-amino-2-(diethylaminomethyl)oxolan-3-ol
CID 125416320
2-Hydroxy-3-isopropylaminopropyl ether
CID 56635909
1-(Propan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 12606687

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol (CID 126846647) is (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol is CCOCCCN[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol?
The InChIKey is AAAVKCQDGBTNNJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-12-5-3-4-10-8-6-13-7-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol?
(3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol has a molecular weight of 189.25 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3-ethoxypropylamino)oxolan-3-ol is sourced from PubChem (CID 126846647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).