2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid

C10H18N2O3 — CID 79372570

IUPAC2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCNCCC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C10H18N2O3/c1-7-8(10(14)15)4-6-12(7)9(13)3-5-11-2/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeySJVPCPZUCSPRFN-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds4

About 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79372570) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID79372570
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCNCCC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C10H18N2O3/c1-7-8(10(14)15)4-6-12(7)9(13)3-5-11-2/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeySJVPCPZUCSPRFN-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363933
1-decanoyl-2-methylpyrrolidine-3-carboxylic acid
CID 79363466
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383362
2-methyl-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 79363684
1-[3-(4-bromophenoxy)propanoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372035
1-[2-(3,4-dimethylphenoxy)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371658
2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(methylamino)propan-1-one
CID 82746414
1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 103156198
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid (CID 79372570) is 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid is CNCCC(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SJVPCPZUCSPRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-8(10(14)15)4-6-12(7)9(13)3-5-11-2/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79372570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).