hydroxy-[(2S)-pyrrolidin-2-yl]methanolate

C5H10NO2- — CID 135040349

IUPAChydroxy-[(2S)-pyrrolidin-2-yl]methanolate
SMILES[O-]C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H10NO2/c7-5(8)4-2-1-3-6-4/h4-7H,1-3H2/q-1/t4-,5?/m0/s1
InChIKeyQFZGTUCLWACZKI-ROLXFIACSA-N
MW116.14 g/mol
LogP-1.58
Rot. Bonds1

About hydroxy-[(2S)-pyrrolidin-2-yl]methanolate

hydroxy-[(2S)-pyrrolidin-2-yl]methanolate (PubChem CID 135040349) has the molecular formula C5H10NO2- and a molecular weight of 116.14 g/mol. Its IUPAC name is hydroxy-[(2S)-pyrrolidin-2-yl]methanolate.

Molecular Properties

Compound Namehydroxy-[(2S)-pyrrolidin-2-yl]methanolate
PubChem CID135040349
Molecular FormulaC5H10NO2-
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Namehydroxy-[(2S)-pyrrolidin-2-yl]methanolate
SMILES[O-]C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H10NO2/c7-5(8)4-2-1-3-6-4/h4-7H,1-3H2/q-1/t4-,5?/m0/s1
InChIKeyQFZGTUCLWACZKI-ROLXFIACSA-N
XLogP-1.58
TPSA55.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze hydroxy-[(2S)-pyrrolidin-2-yl]methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Prolinol
CID 640091
Prolinol, (R)-
CID 2724541
Prolinol
CID 90908
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 11073391
Pyrrolidine-2,5-diyldimethanol
CID 14353894
(2S,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10534650
[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol hydrochloride
CID 67022047
((2S,4R)-4-fluoropyrrolidin-2-yl)methanol hydrochloride
CID 67293842
((2S,4S)-4-fluoropyrrolidin-2-yl)methanol hydrochloride
CID 67295474
[(2R,4S)-4-fluoropyrrolidin-2-yl]methanol hydrochloride
CID 145708132
[(2R,4R)-4-Fluoropyrrolidin-2-yl]methanol hydrochloride
CID 154810014
(3R,5S)-5-(Hydroxymethyl)pyrrolidin-3-OL
CID 15817396

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S)-pyrrolidin-2-yl]methanolate?
The IUPAC name of hydroxy-[(2S)-pyrrolidin-2-yl]methanolate (CID 135040349) is hydroxy-[(2S)-pyrrolidin-2-yl]methanolate.
What is the SMILES notation for hydroxy-[(2S)-pyrrolidin-2-yl]methanolate?
The canonical SMILES for hydroxy-[(2S)-pyrrolidin-2-yl]methanolate is [O-]C(O)[C@@H]1CCCN1.
What is the InChIKey of hydroxy-[(2S)-pyrrolidin-2-yl]methanolate?
The InChIKey is QFZGTUCLWACZKI-ROLXFIACSA-N. The full InChI is InChI=1S/C5H10NO2/c7-5(8)4-2-1-3-6-4/h4-7H,1-3H2/q-1/t4-,5?/m0/s1.
What are the key properties of hydroxy-[(2S)-pyrrolidin-2-yl]methanolate?
hydroxy-[(2S)-pyrrolidin-2-yl]methanolate has a molecular weight of 116.14 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S)-pyrrolidin-2-yl]methanolate is sourced from PubChem (CID 135040349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).