1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 82742033

IUPAC1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8-10(4-6-18-8)13(2)12(17)14-5-3-9(7-14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyPONPSJWRKFPDEV-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds2

About 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 82742033) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID82742033
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8-10(4-6-18-8)13(2)12(17)14-5-3-9(7-14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyPONPSJWRKFPDEV-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 82741951
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 82730720
(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125807
4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425828
1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032128
2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82742275
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
2-ethyl-3-[methyl-(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 82743062

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 82742033) is 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1OCCC1N(C)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PONPSJWRKFPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-10(4-6-18-8)13(2)12(17)14-5-3-9(7-14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82742033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).