4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid

C9H14N2O6 — CID 23102672

IUPAC4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
SMILESCOCC(=O)N1CC(N)(C(=O)O)CC1C(=O)O
InChIInChI=1S/C9H14N2O6/c1-17-3-6(12)11-4-9(10,8(15)16)2-5(11)7(13)14/h5H,2-4,10H2,1H3,(H,13,14)(H,15,16)
InChIKeyCEFMVMXUQBDEMU-UHFFFAOYSA-N
MW246.22 g/mol
LogP-1.90
Rot. Bonds4

About 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid

4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 23102672) has the molecular formula C9H14N2O6 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID23102672
Molecular FormulaC9H14N2O6
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
SMILESCOCC(=O)N1CC(N)(C(=O)O)CC1C(=O)O
InChIInChI=1S/C9H14N2O6/c1-17-3-6(12)11-4-9(10,8(15)16)2-5(11)7(13)14/h5H,2-4,10H2,1H3,(H,13,14)(H,15,16)
InChIKeyCEFMVMXUQBDEMU-UHFFFAOYSA-N
XLogP-1.90
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 11499735
(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 59652934
(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11623609
(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11550997
(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
CID 11644213
4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
CID 22369546
4-amino-1-[carboxy(propyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid
CID 90993334
4-amino-1-benzoylpyrrolidine-2,4-dicarboxylic acid
CID 22369538
4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 143148082
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid (CID 23102672) is 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid is COCC(=O)N1CC(N)(C(=O)O)CC1C(=O)O.
What is the InChIKey of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is CEFMVMXUQBDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6/c1-17-3-6(12)11-4-9(10,8(15)16)2-5(11)7(13)14/h5H,2-4,10H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid?
4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 246.22 g/mol, XLogP of -1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 23102672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).