1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 104553133

IUPAC1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(CO)N(C)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O4/c1-7(6-14)12(3)11(17)13-5-4-9(8(13)2)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyUERPEQRSEJUKES-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.21
Rot. Bonds3

About 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 104553133) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID104553133
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(CO)N(C)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O4/c1-7(6-14)12(3)11(17)13-5-4-9(8(13)2)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyUERPEQRSEJUKES-UHFFFAOYSA-N
XLogP0.21
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-methyl-1-[methyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122104890
2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383054
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79379376
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 102865569
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 104552989
1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382684
1-[(4-ethylphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377613

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 104553133) is 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC(CO)N(C)C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UERPEQRSEJUKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(6-14)12(3)11(17)13-5-4-9(8(13)2)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104553133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).