(3S,4S)-4-(methylamino)pyrrolidin-3-ol

C5H12N2O — CID 59440456

IUPAC(3S,4S)-4-(methylamino)pyrrolidin-3-ol
SMILESCN[C@H]1CNC[C@@H]1O
InChIInChI=1S/C5H12N2O/c1-6-4-2-7-3-5(4)8/h4-8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyVVBMVJAZPUCDRH-WHFBIAKZSA-N
MW116.16 g/mol
LogP-1.46
Rot. Bonds1

About (3S,4S)-4-(methylamino)pyrrolidin-3-ol

(3S,4S)-4-(methylamino)pyrrolidin-3-ol (PubChem CID 59440456) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (3S,4S)-4-(methylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(methylamino)pyrrolidin-3-ol
PubChem CID59440456
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(3S,4S)-4-(methylamino)pyrrolidin-3-ol
SMILESCN[C@H]1CNC[C@@H]1O
InChIInChI=1S/C5H12N2O/c1-6-4-2-7-3-5(4)8/h4-8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyVVBMVJAZPUCDRH-WHFBIAKZSA-N
XLogP-1.46
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-(methylamino)pyrrolidin-3-ol 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

4-Hydroxypyrrolidine
CID 98210
(3S)-pyrrolidin-3-ol
CID 2733874
(R)-3-Pyrrolidinol
CID 2759337
5-Methylpyrrolidin-3-ol
CID 21973779
1-(2-Aminoethyl)-3-pyrrolidinol
CID 21065334
(3S)-1-(2-aminoethyl)pyrrolidin-3-ol
CID 34176747
(3R)-1-(2-Aminoethyl)pyrrolidin-3-ol
CID 42614269
rac-(3R,4R)-1-methyl-4-(methylamino)pyrrolidin-3-ol
CID 44141717
(2R,3S)-2-Methylpyrrolidin-3-ol hydrochloride
CID 55287363
rac-(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
rac-(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
CID 58396046
(2R,3R)-2-Methylpyrrolidin-3-ol hydrochloride
CID 67314332

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methylamino)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(methylamino)pyrrolidin-3-ol (CID 59440456) is (3S,4S)-4-(methylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(methylamino)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(methylamino)pyrrolidin-3-ol is CN[C@H]1CNC[C@@H]1O.
What is the InChIKey of (3S,4S)-4-(methylamino)pyrrolidin-3-ol?
The InChIKey is VVBMVJAZPUCDRH-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6-4-2-7-3-5(4)8/h4-8H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-(methylamino)pyrrolidin-3-ol?
(3S,4S)-4-(methylamino)pyrrolidin-3-ol has a molecular weight of 116.16 g/mol, XLogP of -1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methylamino)pyrrolidin-3-ol is sourced from PubChem (CID 59440456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).