(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid

C8H15NO3 — CID 68577410

IUPAC(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@](C)(O)[C@H](C)N1C(=O)O
InChIInChI=1S/C8H15NO3/c1-5-4-8(3,12)6(2)9(5)7(10)11/h5-6,12H,4H2,1-3H3,(H,10,11)/t5-,6+,8+/m1/s1
InChIKeyZTTIUWCLNNBGEQ-CHKWXVPMSA-N
MW173.21 g/mol
LogP0.90
Rot. Bonds

About (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid

(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid (PubChem CID 68577410) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid
PubChem CID68577410
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@](C)(O)[C@H](C)N1C(=O)O
InChIInChI=1S/C8H15NO3/c1-5-4-8(3,12)6(2)9(5)7(10)11/h5-6,12H,4H2,1-3H3,(H,10,11)/t5-,6+,8+/m1/s1
InChIKeyZTTIUWCLNNBGEQ-CHKWXVPMSA-N
XLogP0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130626381
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
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(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
2,6-dimethyl-4-nitrosopiperazine-1-carboxylic acid
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4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 67211888
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid
CID 154457797
(2S,6R)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 174048069
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 77476415
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid (CID 68577410) is (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid is C[C@@H]1C[C@](C)(O)[C@H](C)N1C(=O)O.
What is the InChIKey of (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid?
The InChIKey is ZTTIUWCLNNBGEQ-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-4-8(3,12)6(2)9(5)7(10)11/h5-6,12H,4H2,1-3H3,(H,10,11)/t5-,6+,8+/m1/s1.
What are the key properties of (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid?
(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68577410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).