(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 103500463

IUPAC(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-9(2)10-3-5-15(6-4-10)14(20)16-8-11(17)7-12(16)13(18)19/h9-12,17H,3-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyWXKKWFWSKKALMB-NEPJUHHUSA-N
MW284.36 g/mol
LogP0.99
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 103500463) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID103500463
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-9(2)10-3-5-15(6-4-10)14(20)16-8-11(17)7-12(16)13(18)19/h9-12,17H,3-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyWXKKWFWSKKALMB-NEPJUHHUSA-N
XLogP0.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233
(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000506
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
(2S,4S)-1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714131
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 103500463) is (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)C1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WXKKWFWSKKALMB-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)10-3-5-15(6-4-10)14(20)16-8-11(17)7-12(16)13(18)19/h9-12,17H,3-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103500463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).