(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 104939777

IUPAC(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CC(O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-8-4-9(2)10(3)15(6-8)14(20)16-7-11(17)5-12(16)13(18)19/h8-12,17H,4-7H2,1-3H3,(H,18,19)/t8?,9?,10?,11?,12-/m0/s1
InChIKeyGFBJWILKBGRCTE-SXVYVOEYSA-N
MW284.36 g/mol
LogP0.99
Rot. Bonds1

About (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 104939777) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID104939777
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CC(O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-8-4-9(2)10(3)15(6-8)14(20)16-7-11(17)5-12(16)13(18)19/h8-12,17H,4-7H2,1-3H3,(H,18,19)/t8?,9?,10?,11?,12-/m0/s1
InChIKeyGFBJWILKBGRCTE-SXVYVOEYSA-N
XLogP0.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939753
4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid
CID 114594424
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842866
(4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66848111
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114592344
(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885024

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 104939777) is (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CC(C)C(C)N(C(=O)N2CC(O)C[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GFBJWILKBGRCTE-SXVYVOEYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-8-4-9(2)10(3)15(6-8)14(20)16-7-11(17)5-12(16)13(18)19/h8-12,17H,4-7H2,1-3H3,(H,18,19)/t8?,9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104939777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).