(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 55149679

IUPAC(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)COCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2)8-18-7-6-14(12)11(17)13-5-3-4-9(13)10(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyRVRMSEHZMOJZHW-SECBINFHSA-N
MW256.30 g/mol
LogP0.77
Rot. Bonds1

About (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 55149679) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID55149679
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)COCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2)8-18-7-6-14(12)11(17)13-5-3-4-9(13)10(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyRVRMSEHZMOJZHW-SECBINFHSA-N
XLogP0.77
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61428037
(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63218947
2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889976
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
tert-butyl 2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 110624369
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102945062
1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63614728
(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946615
1-(1,4-oxazepane-4-carbonyl)piperidine-2-carboxylic acid
CID 62966759
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124235
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 55149679) is (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is CC1(C)COCCN1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RVRMSEHZMOJZHW-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2)8-18-7-6-14(12)11(17)13-5-3-4-9(13)10(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55149679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).