1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol

C10H21NO3 — CID 112627641

IUPAC1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(C(C)O)C1
InChIInChI=1S/C10H21NO3/c1-8(12)9-3-4-11(5-9)6-10(13)7-14-2/h8-10,12-13H,3-7H2,1-2H3
InChIKeyKCPNGNRGQPFEFJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.30
Rot. Bonds5

About 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 112627641) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
PubChem CID112627641
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(C(C)O)C1
InChIInChI=1S/C10H21NO3/c1-8(12)9-3-4-11(5-9)6-10(13)7-14-2/h8-10,12-13H,3-7H2,1-2H3
InChIKeyKCPNGNRGQPFEFJ-UHFFFAOYSA-N
XLogP-0.30
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 110020039
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 112628064
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol (CID 112627641) is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is KCPNGNRGQPFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(12)9-3-4-11(5-9)6-10(13)7-14-2/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol?
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 203.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 112627641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).