(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine

C9H20N2O — CID 163822436

IUPAC(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
SMILESCO[C@H](CN)CN1CCC[C@@H]1C
InChIInChI=1S/C9H20N2O/c1-8-4-3-5-11(8)7-9(6-10)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9+/m0/s1
InChIKeyNWOIOJBLTHYORF-DTWKUNHWSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds4

About (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine

(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine (PubChem CID 163822436) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
PubChem CID163822436
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
SMILESCO[C@H](CN)CN1CCC[C@@H]1C
InChIInChI=1S/C9H20N2O/c1-8-4-3-5-11(8)7-9(6-10)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9+/m0/s1
InChIKeyNWOIOJBLTHYORF-DTWKUNHWSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
The IUPAC name of (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine (CID 163822436) is (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine.
What is the SMILES notation for (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
The canonical SMILES for (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine is CO[C@H](CN)CN1CCC[C@@H]1C.
What is the InChIKey of (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
The InChIKey is NWOIOJBLTHYORF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-4-3-5-11(8)7-9(6-10)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine is sourced from PubChem (CID 163822436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).