1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid

C10H18N2O4 — CID 114351214

IUPAC1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C(=O)N(C)C)N1CC(O)CC1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(9(14)11(2)3)12-5-7(13)4-8(12)10(15)16/h6-8,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyCEWIVYNMOKIBQW-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.02
Rot. Bonds3

About 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351214) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351214
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C(=O)N(C)C)N1CC(O)CC1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(9(14)11(2)3)12-5-7(13)4-8(12)10(15)16/h6-8,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyCEWIVYNMOKIBQW-UHFFFAOYSA-N
XLogP-1.02
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351300
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S,4S)-4-hydroxy-1-[methyl(3-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713740
(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999436
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S)-4-hydroxy-1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104552967
(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid
CID 146015084
(2S,4S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713742
(2S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202534

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351214) is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(C(=O)N(C)C)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CEWIVYNMOKIBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(9(14)11(2)3)12-5-7(13)4-8(12)10(15)16/h6-8,13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).