1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid

C10H18N2O4 — CID 81102347

IUPAC1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOCC(N)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C10H18N2O4/c1-6-7(10(14)15)3-4-12(6)9(13)8(11)5-16-2/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyJEIRZGMURUZLQS-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.72
Rot. Bonds4

About 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 81102347) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID81102347
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOCC(N)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C10H18N2O4/c1-6-7(10(14)15)3-4-12(6)9(13)8(11)5-16-2/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyJEIRZGMURUZLQS-UHFFFAOYSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991565
2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 81088355
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 81088765
(2S,4R)-1-(2-amino-3-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81088680
1-(4-amino-3-methoxybutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 103156198
1-[2-methoxyethyl(pentan-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377381
2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372570
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 81102347) is 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid is COCC(N)C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JEIRZGMURUZLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-7(10(14)15)3-4-12(6)9(13)8(11)5-16-2/h6-8H,3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81102347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).