(3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C12H21NO5 — CID 86711241

IUPAC(3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(10(14)15)9(7-13)17-4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyJEBRCXVVNPFMDQ-DTWKUNHWSA-N
MW259.30 g/mol
LogP1.34
Rot. Bonds2

About (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

(3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 86711241) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID86711241
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(10(14)15)9(7-13)17-4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyJEBRCXVVNPFMDQ-DTWKUNHWSA-N
XLogP1.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 86711241) is (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O.
What is the InChIKey of (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is JEBRCXVVNPFMDQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(10(14)15)9(7-13)17-4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 86711241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).