(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid

C6H12N2O2 — CID 15235153

IUPAC(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C[C@@](N)(C(=O)O)CN1
InChIInChI=1S/C6H12N2O2/c1-4-2-6(7,3-8-4)5(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m1/s1
InChIKeyBCOCBXVASIQBTR-XINAWCOVSA-N
MW144.17 g/mol
LogP-0.85
Rot. Bonds1

About (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid

(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid (PubChem CID 15235153) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
PubChem CID15235153
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C[C@@](N)(C(=O)O)CN1
InChIInChI=1S/C6H12N2O2/c1-4-2-6(7,3-8-4)5(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m1/s1
InChIKeyBCOCBXVASIQBTR-XINAWCOVSA-N
XLogP-0.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-aminocyclopropane-1-carboxylic acid;hydrate
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CID 105439814
1-amino-3,4-dimethylcyclopent-3-ene-1-carboxylic acid
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4,4,5,5-tetrafluoro-2-methylpiperidine
CID 157309012
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(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
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CID 2901
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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid (CID 15235153) is (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid is C[C@@H]1C[C@@](N)(C(=O)O)CN1.
What is the InChIKey of (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BCOCBXVASIQBTR-XINAWCOVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-2-6(7,3-8-4)5(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m1/s1.
What are the key properties of (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid?
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 15235153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).