(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid

C7H11NO4 — CID 137367540

IUPAC(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)CCN1C(=O)O
InChIInChI=1S/C7H11NO4/c1-4-5(6(9)10)2-3-8(4)7(11)12/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)/t4-,5+/m1/s1
InChIKeyZHPNZZARVXJZAG-UHNVWZDZSA-N
MW173.17 g/mol
LogP0.46
Rot. Bonds1

About (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid

(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid (PubChem CID 137367540) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
PubChem CID137367540
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)CCN1C(=O)O
InChIInChI=1S/C7H11NO4/c1-4-5(6(9)10)2-3-8(4)7(11)12/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)/t4-,5+/m1/s1
InChIKeyZHPNZZARVXJZAG-UHNVWZDZSA-N
XLogP0.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
CID 69349311
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
CID 79364112
1-but-2-ynoyl-2-methylpyrrolidine-3-carboxylic acid
CID 107986829
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371917
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372570
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115453494
1-decanoyl-2-methylpyrrolidine-3-carboxylic acid
CID 79363466

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid (CID 137367540) is (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid is C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)O.
What is the InChIKey of (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid?
The InChIKey is ZHPNZZARVXJZAG-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4-5(6(9)10)2-3-8(4)7(11)12/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid?
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 137367540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).