(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol

C6H14N2O — CID 166010699

IUPAC(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol
SMILESCC[C@@H]1C[C@@H](O)CN1N
InChIInChI=1S/C6H14N2O/c1-2-5-3-6(9)4-8(5)7/h5-6,9H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyMVSFQDQJCNTIQX-PHDIDXHHSA-N
MW130.19 g/mol
LogP-0.29
Rot. Bonds1

About (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol

(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol (PubChem CID 166010699) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol
PubChem CID166010699
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol
SMILESCC[C@@H]1C[C@@H](O)CN1N
InChIInChI=1S/C6H14N2O/c1-2-5-3-6(9)4-8(5)7/h5-6,9H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyMVSFQDQJCNTIQX-PHDIDXHHSA-N
XLogP-0.29
TPSA49.49 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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol
CID 45078936
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160662524
1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 102568698
2-ethyl-1-hydroxyaziridine
CID 21316390
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
1-propan-2-yl-5-propylpyrrolidin-3-ol
CID 102568671
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 143294996
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
CID 126987725
(3R,5R)-1,5-dibutylpyrrolidin-3-ol
CID 99995389

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol (CID 166010699) is (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol is CC[C@@H]1C[C@@H](O)CN1N.
What is the InChIKey of (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol?
The InChIKey is MVSFQDQJCNTIQX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-5-3-6(9)4-8(5)7/h5-6,9H,2-4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol?
(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol has a molecular weight of 130.19 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-amino-5-ethylpyrrolidin-3-ol is sourced from PubChem (CID 166010699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).