(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol

C10H21NO2 — CID 106932811

IUPAC(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCCC1CCCO
InChIInChI=1S/C10H21NO2/c1-9(13)8-11-6-2-4-10(11)5-3-7-12/h9-10,12-13H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyABRWROBJXXTCGU-RGURZIINSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds5

About (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol

(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 106932811) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID106932811
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCCC1CCCO
InChIInChI=1S/C10H21NO2/c1-9(13)8-11-6-2-4-10(11)5-3-7-12/h9-10,12-13H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyABRWROBJXXTCGU-RGURZIINSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
CID 107443410
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 63571893
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62612828
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol (CID 106932811) is (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol is C[C@H](O)CN1CCCC1CCCO.
What is the InChIKey of (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is ABRWROBJXXTCGU-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(13)8-11-6-2-4-10(11)5-3-7-12/h9-10,12-13H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 106932811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).