1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid

C11H18N2O5 — CID 64889550

IUPAC1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(N)CCC(=O)O)CC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-6-4-13(5-7(6)11(17)18)10(16)8(12)2-3-9(14)15/h6-8H,2-5,12H2,1H3,(H,14,15)(H,17,18)
InChIKeySRYUIRZJLXOACU-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.64
Rot. Bonds5

About 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 64889550) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID64889550
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(N)CCC(=O)O)CC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-6-4-13(5-7(6)11(17)18)10(16)8(12)2-3-9(14)15/h6-8H,2-5,12H2,1H3,(H,14,15)(H,17,18)
InChIKeySRYUIRZJLXOACU-UHFFFAOYSA-N
XLogP-0.64
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720387
(3S,4S)-1-[(2S)-2-amino-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98540017
4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
CID 107217500
(3S,4R)-1-(2-amino-4-carboxybutanoyl)-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 145304748
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530
4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
CID 107219249
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
(3S,4S)-4-methyl-1-(2-phenylsulfanylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120952944
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 64889550) is 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C(N)CCC(=O)O)CC1C(=O)O.
What is the InChIKey of 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SRYUIRZJLXOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-6-4-13(5-7(6)11(17)18)10(16)8(12)2-3-9(14)15/h6-8H,2-5,12H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64889550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).