(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid

C14H25NO4 — CID 86317486

IUPAC(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid
SMILESCC(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-9(2)10-6-7-15(11(8-10)12(16)17)13(18)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyIQDMTHKKMLZZNV-MNOVXSKESA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds2

About (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid

(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid (PubChem CID 86317486) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid
PubChem CID86317486
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid
SMILESCC(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-9(2)10-6-7-15(11(8-10)12(16)17)13(18)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyIQDMTHKKMLZZNV-MNOVXSKESA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-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

(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 155921104
4-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 168754326
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid
CID 102567569
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 139534275
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-2-carboxylic acid
CID 45073940
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid (CID 86317486) is (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid is CC(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid?
The InChIKey is IQDMTHKKMLZZNV-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)10-6-7-15(11(8-10)12(16)17)13(18)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid?
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 86317486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).