1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide

C9H17N3O2 — CID 122236976

IUPAC1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C9H17N3O2/c10-9(14)6-1-2-12(5-6)7-3-11-4-8(7)13/h6-8,11,13H,1-5H2,(H2,10,14)/t6?,7-,8-/m1/s1
InChIKeyROSXPOPFJGOJQB-SPDVFEMOSA-N
MW199.25 g/mol
LogP-1.87
Rot. Bonds2

About 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide

1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 122236976) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID122236976
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C9H17N3O2/c10-9(14)6-1-2-12(5-6)7-3-11-4-8(7)13/h6-8,11,13H,1-5H2,(H2,10,14)/t6?,7-,8-/m1/s1
InChIKeyROSXPOPFJGOJQB-SPDVFEMOSA-N
XLogP-1.87
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
CID 130905202
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236872
(3S)-1-piperidin-4-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 162316129
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939
1-(2-hydroxycyclopentyl)piperidine-3-carboxamide
CID 60712103
4-[4-(dimethylamino)piperidin-1-yl]pyrrolidin-3-ol
CID 63702628
1-[(1R,2R)-2-hydroxycyclopentyl]piperidine-4-carboxamide
CID 102734306
(3R,4R)-4-(2-methyl-1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol;hydrochloride
CID 131182973
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
CID 122236780
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 122236976) is 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN([C@@H]2CNC[C@H]2O)C1.
What is the InChIKey of 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is ROSXPOPFJGOJQB-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-9(14)6-1-2-12(5-6)7-3-11-4-8(7)13/h6-8,11,13H,1-5H2,(H2,10,14)/t6?,7-,8-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide?
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122236976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).