(1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol

C8H17NO2 — CID 134855635

IUPAC(1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C8H17NO2/c1-2-8(11)7-4-3-6(5-10)9-7/h6-11H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyLKMVGRIPWKVLNX-RNJXMRFFSA-N
MW159.23 g/mol
LogP-0.13
Rot. Bonds3

About (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol

(1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 134855635) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID134855635
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C8H17NO2/c1-2-8(11)7-4-3-6(5-10)9-7/h6-11H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyLKMVGRIPWKVLNX-RNJXMRFFSA-N
XLogP-0.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol (CID 134855635) is (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol is CC[C@H](O)[C@H]1CC[C@@H](CO)N1.
What is the InChIKey of (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is LKMVGRIPWKVLNX-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-8(11)7-4-3-6(5-10)9-7/h6-11H,2-5H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol?
(1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 159.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 134855635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).