(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid

C10H14N2O6 — CID 69133986

IUPAC(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid
SMILESCC(=O)NCC(=O)N1C[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H14N2O6/c1-5(13)11-3-8(14)12-4-6(9(15)16)2-7(12)10(17)18/h6-7H,2-4H2,1H3,(H,11,13)(H,15,16)(H,17,18)/t6-,7-/m1/s1
InChIKeyQYZBHSSUMRZJMS-RNFRBKRXSA-N
MW258.23 g/mol
LogP-1.49
Rot. Bonds4

About (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid

(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 69133986) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID69133986
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid
SMILESCC(=O)NCC(=O)N1C[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H14N2O6/c1-5(13)11-3-8(14)12-4-6(9(15)16)2-7(12)10(17)18/h6-7H,2-4H2,1H3,(H,11,13)(H,15,16)(H,17,18)/t6-,7-/m1/s1
InChIKeyQYZBHSSUMRZJMS-RNFRBKRXSA-N
XLogP-1.49
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
1-[2-[(2-aminoacetyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159252
1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid
CID 69489250
(2S)-4-hydroxy-1-[2-(prop-2-ynylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79286962
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
1-phosphanylpyrrolidine-2,4-dicarboxylic acid
CID 134285736

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid (CID 69133986) is (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid is CC(=O)NCC(=O)N1C[C@H](C(=O)O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is QYZBHSSUMRZJMS-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-5(13)11-3-8(14)12-4-6(9(15)16)2-7(12)10(17)18/h6-7H,2-4H2,1H3,(H,11,13)(H,15,16)(H,17,18)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 69133986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).