(2S,4S)-4-methylpyrrolidine-2-carboxylic acid

C6H11NO2 — CID 13419855

IUPAC(2S,4S)-4-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyKKJQZEWNZXRJFG-WHFBIAKZSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds1

About (2S,4S)-4-methylpyrrolidine-2-carboxylic acid

(2S,4S)-4-methylpyrrolidine-2-carboxylic acid (PubChem CID 13419855) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S,4S)-4-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-methylpyrrolidine-2-carboxylic acid
PubChem CID13419855
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S,4S)-4-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyKKJQZEWNZXRJFG-WHFBIAKZSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6951137
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CID 1515192
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CID 11366996
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CID 11902999
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CID 95491
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CID 5318294
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CID 3868
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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-methylpyrrolidine-2-carboxylic acid (CID 13419855) is (2S,4S)-4-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-methylpyrrolidine-2-carboxylic acid is C[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-methylpyrrolidine-2-carboxylic acid?
The InChIKey is KKJQZEWNZXRJFG-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-4-methylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-methylpyrrolidine-2-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 13419855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).