(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol

C7H15NO2 — CID 93383484

IUPAC(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
SMILESCC(C)N[C@H]1COC[C@H]1O
InChIInChI=1S/C7H15NO2/c1-5(2)8-6-3-10-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyWPBQQIDOBHZLMB-NKWVEPMBSA-N
MW145.20 g/mol
LogP-0.26
Rot. Bonds2

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

(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol (PubChem CID 93383484) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
PubChem CID93383484
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
SMILESCC(C)N[C@H]1COC[C@H]1O
InChIInChI=1S/C7H15NO2/c1-5(2)8-6-3-10-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyWPBQQIDOBHZLMB-NKWVEPMBSA-N
XLogP-0.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-cyclopentylethyl]amino]oxolan-3-ol
CID 81394183
4-[1-(oxolan-2-yl)ethylamino]oxolan-3-ol
CID 60910566
2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide
CID 131209286
4-(heptan-4-ylamino)oxolan-3-ol
CID 115923440
(3R,4R)-4-(methylamino)oxolan-3-ol
CID 73357418
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689
4-(1-hydroxybutan-2-ylamino)oxolan-3-ol
CID 60910255
trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol
CID 176810875
N-ethyl-2-[(4-hydroxyoxolan-3-yl)amino]-N-methylpropanamide
CID 103108571
4-(1-phenylpropan-2-ylamino)oxolan-3-ol
CID 63011937
N-propan-2-yloxetan-3-amine
CID 53393300
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
CID 60897542

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol?
The IUPAC name of (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol (CID 93383484) is (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol?
The canonical SMILES for (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol is CC(C)N[C@H]1COC[C@H]1O.
What is the InChIKey of (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol?
The InChIKey is WPBQQIDOBHZLMB-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)8-6-3-10-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol?
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol has a molecular weight of 145.20 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(propan-2-ylamino)oxolan-3-ol is sourced from PubChem (CID 93383484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).