(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 119372155

IUPAC(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CC)C(=O)CCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-14(4-2)11(16)7-8-12(17)15-9-5-6-10(15)13(18)19/h10H,3-9H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyBSBVBKDMQJLBSZ-SNVBAGLBSA-N
MW270.33 g/mol
LogP0.71
Rot. Bonds6

About (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372155) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119372155
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CC)C(=O)CCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-14(4-2)11(16)7-8-12(17)15-9-5-6-10(15)13(18)19/h10H,3-9H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyBSBVBKDMQJLBSZ-SNVBAGLBSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54367996
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid (CID 119372155) is (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid is CCN(CC)C(=O)CCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BSBVBKDMQJLBSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-14(4-2)11(16)7-8-12(17)15-9-5-6-10(15)13(18)19/h10H,3-9H2,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).