(3S)-1-methoxypyrrolidin-3-amine

C5H12N2O — CID 59857785

IUPAC(3S)-1-methoxypyrrolidin-3-amine
SMILESCON1CC[C@H](N)C1
InChIInChI=1S/C5H12N2O/c1-8-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyYGWSRJOLMOGEJU-YFKPBYRVSA-N
MW116.16 g/mol
LogP-0.42
Rot. Bonds1

About (3S)-1-methoxypyrrolidin-3-amine

(3S)-1-methoxypyrrolidin-3-amine (PubChem CID 59857785) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (3S)-1-methoxypyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-methoxypyrrolidin-3-amine
PubChem CID59857785
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(3S)-1-methoxypyrrolidin-3-amine
SMILESCON1CC[C@H](N)C1
InChIInChI=1S/C5H12N2O/c1-8-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyYGWSRJOLMOGEJU-YFKPBYRVSA-N
XLogP-0.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxypyrrolidin-3-amine
CID 59857770
1-Hydroxy-3-aminopyrrolidine
CID 117741123
N-pyrrolidin-3-ylhydroxylamine
CID 14478518
N-methoxypyrrolidin-3-amine
CID 14478540
3-N-methoxypyrrolidine-3,4-diamine
CID 21842690
3-N-methoxy-4-N-methylpyrrolidine-3,4-diamine;dihydrochloride
CID 21995484
3-N-methoxy-4-N-methylpyrrolidine-3,4-diamine
CID 21995485
3-N-methoxypyrrolidine-3,4-diamine;dihydrochloride
CID 21995522
3-N-methoxypyrrolidine-1,3-diamine
CID 22361163
N-methoxy-2-pyrrolidin-1-ylethanamine
CID 22899273
(1-Methoxypyrrolidin-2-yl)methanamine
CID 45092510
1-[(Cyclopropylamino)oxymethyl]pyrrolidin-3-amine
CID 57241047

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methoxypyrrolidin-3-amine?
The IUPAC name of (3S)-1-methoxypyrrolidin-3-amine (CID 59857785) is (3S)-1-methoxypyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-methoxypyrrolidin-3-amine?
The canonical SMILES for (3S)-1-methoxypyrrolidin-3-amine is CON1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-methoxypyrrolidin-3-amine?
The InChIKey is YGWSRJOLMOGEJU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O/c1-8-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-1-methoxypyrrolidin-3-amine?
(3S)-1-methoxypyrrolidin-3-amine has a molecular weight of 116.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methoxypyrrolidin-3-amine is sourced from PubChem (CID 59857785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).