(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid

C7H12N2O4 — CID 66965454

IUPAC(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
SMILESC[C@]1(N)C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c1-7(8)2-4(5(10)11)9(3-7)6(12)13/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,7-/m0/s1
InChIKeyCHTDNBIAJQGRIK-FFWSUHOLSA-N
MW188.18 g/mol
LogP-0.46
Rot. Bonds1

About (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid

(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid (PubChem CID 66965454) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
PubChem CID66965454
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
SMILESC[C@]1(N)C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c1-7(8)2-4(5(10)11)9(3-7)6(12)13/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,7-/m0/s1
InChIKeyCHTDNBIAJQGRIK-FFWSUHOLSA-N
XLogP-0.46
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid (CID 66965454) is (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid is C[C@]1(N)C[C@@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid?
The InChIKey is CHTDNBIAJQGRIK-FFWSUHOLSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-7(8)2-4(5(10)11)9(3-7)6(12)13/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,7-/m0/s1.
What are the key properties of (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid?
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 66965454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).