(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol

C7H14N2O2 — CID 126846702

IUPAC(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NC1CNC1
InChIInChI=1S/C7H14N2O2/c10-7-4-11-3-6(7)9-5-1-8-2-5/h5-10H,1-4H2/t6-,7-/m1/s1
InChIKeyATIRLSVAUUSEEU-RNFRBKRXSA-N
MW158.20 g/mol
LogP-1.69
Rot. Bonds2

About (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol

(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol (PubChem CID 126846702) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
PubChem CID126846702
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NC1CNC1
InChIInChI=1S/C7H14N2O2/c10-7-4-11-3-6(7)9-5-1-8-2-5/h5-10H,1-4H2/t6-,7-/m1/s1
InChIKeyATIRLSVAUUSEEU-RNFRBKRXSA-N
XLogP-1.69
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-3-ylamino)oxolan-3-ol
CID 126856880
(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol
CID 130751540
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
CID 60896483
4-[(4-methoxycyclohexyl)amino]oxolan-3-ol
CID 104530548
4-[(3-methylcyclohexyl)amino]oxolan-3-ol
CID 60900459
(3S,4R)-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]oxolan-3-ol
CID 122236870
(3R,4R)-4-(methylamino)oxolan-3-ol
CID 73357418
4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
CID 115923407
(3R,4R)-4-(cyclobutylamino)pyrrolidin-3-ol
CID 126847135
(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 141386384
(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol
CID 126846706
(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol
CID 130678917

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol (CID 126846702) is (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NC1CNC1.
What is the InChIKey of (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol?
The InChIKey is ATIRLSVAUUSEEU-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-7-4-11-3-6(7)9-5-1-8-2-5/h5-10H,1-4H2/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol?
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol has a molecular weight of 158.20 g/mol, XLogP of -1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol is sourced from PubChem (CID 126846702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).