(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid

C7H10N2O6 — CID 11644213

IUPAC(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H10N2O6/c8-7(5(12)13)1-3(4(10)11)9(2-7)6(14)15/h3H,1-2,8H2,(H,10,11)(H,12,13)(H,14,15)/t3-,7+/m1/s1
InChIKeyHTILMSLNKMQINK-NFNCENRGSA-N
MW218.16 g/mol
LogP-1.39
Rot. Bonds2

About (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid

(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid (PubChem CID 11644213) has the molecular formula C7H10N2O6 and a molecular weight of 218.16 g/mol. Its IUPAC name is (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
PubChem CID11644213
Molecular FormulaC7H10N2O6
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H10N2O6/c8-7(5(12)13)1-3(4(10)11)9(2-7)6(14)15/h3H,1-2,8H2,(H,10,11)(H,12,13)(H,14,15)/t3-,7+/m1/s1
InChIKeyHTILMSLNKMQINK-NFNCENRGSA-N
XLogP-1.39
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 59652934
(2R,4R)-4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 11499735
4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 23102672
(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
4-amino-1-benzoylpyrrolidine-2,4-dicarboxylic acid
CID 22369538
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454
4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
CID 22369546
4-amino-1-[carboxy(propyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid
CID 90993334
(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid
CID 123788900
(3R,5S)-3-amino-5-iodo-1-oxalopyrrolidine-3-carboxylic acid
CID 70327866
(2S,4R)-4-azidopyrrolidine-1,2,4-tricarboxylic acid
CID 174241691

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid?
The IUPAC name of (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid (CID 11644213) is (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid.
What is the SMILES notation for (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid?
The canonical SMILES for (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid is N[C@@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid?
The InChIKey is HTILMSLNKMQINK-NFNCENRGSA-N. The full InChI is InChI=1S/C7H10N2O6/c8-7(5(12)13)1-3(4(10)11)9(2-7)6(14)15/h3H,1-2,8H2,(H,10,11)(H,12,13)(H,14,15)/t3-,7+/m1/s1.
What are the key properties of (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid?
(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid has a molecular weight of 218.16 g/mol, XLogP of -1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid is sourced from PubChem (CID 11644213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).