1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H21N3O3 — CID 106318132

IUPAC1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C12H21N3O3/c1-12(11(18)13-2)3-4-15(7-12)10(17)9-5-8(16)6-14-9/h8-9,14,16H,3-7H2,1-2H3,(H,13,18)
InChIKeyNWAZWUYUAUMVRD-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.31
Rot. Bonds2

About 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318132) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318132
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C12H21N3O3/c1-12(11(18)13-2)3-4-15(7-12)10(17)9-5-8(16)6-14-9/h8-9,14,16H,3-7H2,1-2H3,(H,13,18)
InChIKeyNWAZWUYUAUMVRD-UHFFFAOYSA-N
XLogP-1.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119781993
1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318282
N,3-dimethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxamide
CID 106318369
(3-hydroxy-3-methylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219224
2-azaspiro[4.5]decan-2-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119805335
(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 119789063
cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317961
2-azaspiro[5.5]undecan-2-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124703429
2-azaspiro[5.5]undecan-2-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 124701635
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3-propylpiperidin-1-yl)methanone
CID 119791971
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318302
cis-(1S,2R)-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317939

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318132) is 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C2CC(O)CN2)C1.
What is the InChIKey of 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is NWAZWUYUAUMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(11(18)13-2)3-4-15(7-12)10(17)9-5-8(16)6-14-9/h8-9,14,16H,3-7H2,1-2H3,(H,13,18).
What are the key properties of 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).