(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol

C10H21NO3 — CID 126846624

IUPAC(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol
SMILESCC(C)OCCCN[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H21NO3/c1-8(2)14-5-3-4-11-9-6-13-7-10(9)12/h8-12H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyQWTSNPNIHGMBPD-NXEZZACHSA-N
MW203.28 g/mol
LogP0.15
Rot. Bonds6

About (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol

(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol (PubChem CID 126846624) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol
PubChem CID126846624
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol
SMILESCC(C)OCCCN[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H21NO3/c1-8(2)14-5-3-4-11-9-6-13-7-10(9)12/h8-12H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyQWTSNPNIHGMBPD-NXEZZACHSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol (CID 126846624) is (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol is CC(C)OCCCN[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol?
The InChIKey is QWTSNPNIHGMBPD-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)14-5-3-4-11-9-6-13-7-10(9)12/h8-12H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol?
(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol has a molecular weight of 203.28 g/mol, XLogP of 0.15, 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-propan-2-yloxypropylamino)oxolan-3-ol is sourced from PubChem (CID 126846624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).