(3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol

C6H14N2O2 — CID 134287742

IUPAC(3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(CN)C[C@@H]1O
InChIInChI=1S/C6H14N2O2/c1-10-6-3-8(4-7)2-5(6)9/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyZZTDSVDMKMWSDW-NTSWFWBYSA-N
MW146.19 g/mol
LogP-1.41
Rot. Bonds2

About (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol

(3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol (PubChem CID 134287742) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol
PubChem CID134287742
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(CN)C[C@@H]1O
InChIInChI=1S/C6H14N2O2/c1-10-6-3-8(4-7)2-5(6)9/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyZZTDSVDMKMWSDW-NTSWFWBYSA-N
XLogP-1.41
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol (CID 134287742) is (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol is CO[C@@H]1CN(CN)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol?
The InChIKey is ZZTDSVDMKMWSDW-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-10-6-3-8(4-7)2-5(6)9/h5-6,9H,2-4,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol?
(3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol has a molecular weight of 146.19 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(aminomethyl)-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 134287742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).