3-methyl-1-propanoylpyrrolidine-2-carboxylic acid

C9H15NO3 — CID 102775238

IUPAC3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
SMILESCCC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C9H15NO3/c1-3-7(11)10-5-4-6(2)8(10)9(12)13/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyRSSVJUTWBWHCQR-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid

3-methyl-1-propanoylpyrrolidine-2-carboxylic acid (PubChem CID 102775238) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
PubChem CID102775238
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
SMILESCCC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C9H15NO3/c1-3-7(11)10-5-4-6(2)8(10)9(12)13/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyRSSVJUTWBWHCQR-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
1-but-3-enoyl-3-methylpyrrolidine-2-carboxylic acid
CID 102775329
3-methyl-1-[2-(thian-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 102775342
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
3-methyl-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 102780415
1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781678
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775466
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780398
1-[2-(4-fluorophenyl)sulfanylacetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775403
1-[2-(4-bromophenyl)sulfanylacetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid (CID 102775238) is 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid is CCC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid?
The InChIKey is RSSVJUTWBWHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7(11)10-5-4-6(2)8(10)9(12)13/h6,8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid?
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).