2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid

C10H20N2O4 — CID 22457430

IUPAC2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
SMILESCC(C)C(N)C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C5H9NO2.C5H11NO2/c7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8/h4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8)
InChIKeyJGFVPSYIFTVWSN-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.12
Rot. Bonds3

About 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid

2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid (PubChem CID 22457430) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
PubChem CID22457430
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
SMILESCC(C)C(N)C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C5H9NO2.C5H11NO2/c7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8/h4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8)
InChIKeyJGFVPSYIFTVWSN-UHFFFAOYSA-N
XLogP-0.12
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
CID 67175874
CID 67175874
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23531806
bis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 68976268
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174461355
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70259627
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
(2S)-2-amino-3-methylbutanoic acid;bis((2S)-2-aminopropanoic acid);4-nitroaniline;(2S)-pyrrolidine-2-carboxylic acid
CID 68627066
pyrrolidine-2-carboxylic acid
CID 614

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid (CID 22457430) is 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid is CC(C)C(N)C(=O)O.O=C(O)C1CCCN1.
What is the InChIKey of 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid?
The InChIKey is JGFVPSYIFTVWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C5H11NO2/c7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8/h4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid?
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22457430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).