(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 79000506

IUPAC(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)10-4-6-16(7-5-10)14(21)17-9-11(18)8-12(17)13(19)20/h10-12,18H,4-9H2,1-3H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyVZCQPVAZFOVJGX-VXGBXAGGSA-N
MW298.38 g/mol
LogP1.38
Rot. Bonds1

About (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000506) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000506
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)10-4-6-16(7-5-10)14(21)17-9-11(18)8-12(17)13(19)20/h10-12,18H,4-9H2,1-3H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyVZCQPVAZFOVJGX-VXGBXAGGSA-N
XLogP1.38
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
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
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(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
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000506) is (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(C)(C)C1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VZCQPVAZFOVJGX-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)10-4-6-16(7-5-10)14(21)17-9-11(18)8-12(17)13(19)20/h10-12,18H,4-9H2,1-3H3,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).