(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid

C10H17N3O4 — CID 78967840

IUPAC(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)CN(C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17N3O4/c1-11-8(14)6-12(2)10(17)13-5-3-4-7(13)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeyPLHHWXORUCGPIM-ZETCQYMHSA-N
MW243.26 g/mol
LogP-0.67
Rot. Bonds3

About (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78967840) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78967840
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)CN(C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17N3O4/c1-11-8(14)6-12(2)10(17)13-5-3-4-7(13)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeyPLHHWXORUCGPIM-ZETCQYMHSA-N
XLogP-0.67
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922463
4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430186
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 78967840) is (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid is CNC(=O)CN(C)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PLHHWXORUCGPIM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-11-8(14)6-12(2)10(17)13-5-3-4-7(13)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78967840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).