(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid

C16H26N2O5 — CID 139534275

IUPAC(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-9-6-11(10-12(18)14(20)21)13(19)17-7-4-5-8-17/h11-12H,4-10H2,1-3H3,(H,20,21)/t11-,12+/m0/s1
InChIKeyUVZCTVQHRFPIEE-NWDGAFQWSA-N
MW326.39 g/mol
LogP1.71
Rot. Bonds2

About (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid

(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 139534275) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID139534275
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-9-6-11(10-12(18)14(20)21)13(19)17-7-4-5-8-17/h11-12H,4-10H2,1-3H3,(H,20,21)/t11-,12+/m0/s1
InChIKeyUVZCTVQHRFPIEE-NWDGAFQWSA-N
XLogP1.71
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid with MolForge

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Related Compounds

(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
(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
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
4-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 168754326
(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 155921104
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid
CID 102567569
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid
CID 86317486
1-O-tert-butyl 2-O-methyl (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylate
CID 155757059
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
(2S)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 95387291

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid (CID 139534275) is (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is UVZCTVQHRFPIEE-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-9-6-11(10-12(18)14(20)21)13(19)17-7-4-5-8-17/h11-12H,4-10H2,1-3H3,(H,20,21)/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 139534275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).