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

C9H17NO2 — CID 93383701

IUPAC(3S,4R)-4-(cyclopentylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NC1CCCC1
InChIInChI=1S/C9H17NO2/c11-9-6-12-5-8(9)10-7-3-1-2-4-7/h7-11H,1-6H2/t8-,9-/m1/s1
InChIKeyOVRVBODODUUCJP-RKDXNWHRSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds2

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

(3S,4R)-4-(cyclopentylamino)oxolan-3-ol (PubChem CID 93383701) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S,4R)-4-(cyclopentylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(cyclopentylamino)oxolan-3-ol
PubChem CID93383701
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S,4R)-4-(cyclopentylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NC1CCCC1
InChIInChI=1S/C9H17NO2/c11-9-6-12-5-8(9)10-7-3-1-2-4-7/h7-11H,1-6H2/t8-,9-/m1/s1
InChIKeyOVRVBODODUUCJP-RKDXNWHRSA-N
XLogP0.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(cyclopentylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(cyclopentylamino)oxolan-3-ol (CID 93383701) is (3S,4R)-4-(cyclopentylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(cyclopentylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(cyclopentylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NC1CCCC1.
What is the InChIKey of (3S,4R)-4-(cyclopentylamino)oxolan-3-ol?
The InChIKey is OVRVBODODUUCJP-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9-6-12-5-8(9)10-7-3-1-2-4-7/h7-11H,1-6H2/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-(cyclopentylamino)oxolan-3-ol?
(3S,4R)-4-(cyclopentylamino)oxolan-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(cyclopentylamino)oxolan-3-ol is sourced from PubChem (CID 93383701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).