(2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

C16H28N2O6 — CID 70288644

IUPAC(2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCN[C@](C(=O)O)(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)16(11(19)20)9-10(7-8-17-16)18-13(22)24-15(4,5)6/h10,17H,7-9H2,1-6H3,(H,18,22)(H,19,20)/t10-,16+/m0/s1
InChIKeyNEZBSGPEPPCNQJ-MGPLVRAMSA-N
MW344.41 g/mol
LogP1.43
Rot. Bonds3

About (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

(2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (PubChem CID 70288644) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
PubChem CID70288644
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Name(2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCN[C@](C(=O)O)(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)16(11(19)20)9-10(7-8-17-16)18-13(22)24-15(4,5)6/h10,17H,7-9H2,1-6H3,(H,18,22)(H,19,20)/t10-,16+/m0/s1
InChIKeyNEZBSGPEPPCNQJ-MGPLVRAMSA-N
XLogP1.43
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-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

2-(Tert-butoxycarbonyl)piperidine-2-carboxylicacid
CID 21904115
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 11172593
(2S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-2-carboxylic acid
CID 11736684
2-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid
CID 20622278
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 21341505
rac-(2R,4R)-1-[(tert-butoxy)carbonyl]-4-{[(tert-butoxy)carbonyl]amino}piperidine-2-carboxylic acid
CID 21341542
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 22871938
1,2-Bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 53890538
(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 57193090
(2S)-3-(6-methoxycarbonylpiperidine-2-carbonyl)oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 58357130
(2S)-3-[(2R)-6-methoxycarbonylpiperidine-2-carbonyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59120959
2-(Tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 59385224

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (CID 70288644) is (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1CCN[C@](C(=O)O)(C(=O)OC(C)(C)C)C1.
What is the InChIKey of (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The InChIKey is NEZBSGPEPPCNQJ-MGPLVRAMSA-N. The full InChI is InChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)16(11(19)20)9-10(7-8-17-16)18-13(22)24-15(4,5)6/h10,17H,7-9H2,1-6H3,(H,18,22)(H,19,20)/t10-,16+/m0/s1.
What are the key properties of (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
(2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 70288644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).