(1S)-2-amino-1-pyrrolidin-2-ylethanol

C6H14N2O — CID 155010732

IUPAC(1S)-2-amino-1-pyrrolidin-2-ylethanol
SMILESNC[C@H](O)C1CCCN1
InChIInChI=1S/C6H14N2O/c7-4-6(9)5-2-1-3-8-5/h5-6,8-9H,1-4,7H2/t5?,6-/m0/s1
InChIKeyHBQDNRCHOYCPCP-GDVGLLTNSA-N
MW130.19 g/mol
LogP-0.94
Rot. Bonds2

About (1S)-2-amino-1-pyrrolidin-2-ylethanol

(1S)-2-amino-1-pyrrolidin-2-ylethanol (PubChem CID 155010732) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (1S)-2-amino-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-pyrrolidin-2-ylethanol
PubChem CID155010732
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(1S)-2-amino-1-pyrrolidin-2-ylethanol
SMILESNC[C@H](O)C1CCCN1
InChIInChI=1S/C6H14N2O/c7-4-6(9)5-2-1-3-8-5/h5-6,8-9H,1-4,7H2/t5?,6-/m0/s1
InChIKeyHBQDNRCHOYCPCP-GDVGLLTNSA-N
XLogP-0.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
1-pyrrolidin-2-ylethane-1,2-diamine
CID 10866359
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
CID 167554400
1-(azepan-2-yl)ethane-1,2-diol
CID 115006977
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 142507527
(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
CID 138485429

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-pyrrolidin-2-ylethanol?
The IUPAC name of (1S)-2-amino-1-pyrrolidin-2-ylethanol (CID 155010732) is (1S)-2-amino-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for (1S)-2-amino-1-pyrrolidin-2-ylethanol?
The canonical SMILES for (1S)-2-amino-1-pyrrolidin-2-ylethanol is NC[C@H](O)C1CCCN1.
What is the InChIKey of (1S)-2-amino-1-pyrrolidin-2-ylethanol?
The InChIKey is HBQDNRCHOYCPCP-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H14N2O/c7-4-6(9)5-2-1-3-8-5/h5-6,8-9H,1-4,7H2/t5?,6-/m0/s1.
What are the key properties of (1S)-2-amino-1-pyrrolidin-2-ylethanol?
(1S)-2-amino-1-pyrrolidin-2-ylethanol has a molecular weight of 130.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 155010732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).