(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine

C6H14N2O — CID 175818175

IUPAC(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine
SMILESCO[C@H]1[C@H](N)CN[C@@H]1C
InChIInChI=1S/C6H14N2O/c1-4-6(9-2)5(7)3-8-4/h4-6,8H,3,7H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyNTXIHLBCICKMQR-HSUXUTPPSA-N
MW130.19 g/mol
LogP-0.68
Rot. Bonds1

About (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine

(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine (PubChem CID 175818175) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine
PubChem CID175818175
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine
SMILESCO[C@H]1[C@H](N)CN[C@@H]1C
InChIInChI=1S/C6H14N2O/c1-4-6(9-2)5(7)3-8-4/h4-6,8H,3,7H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyNTXIHLBCICKMQR-HSUXUTPPSA-N
XLogP-0.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine?
The IUPAC name of (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine (CID 175818175) is (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine is CO[C@H]1[C@H](N)CN[C@@H]1C.
What is the InChIKey of (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine?
The InChIKey is NTXIHLBCICKMQR-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4-6(9-2)5(7)3-8-4/h4-6,8H,3,7H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine?
(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 175818175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).