methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate

C17H30N2O6 — CID 58357137

IUPACmethyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](CO)CCC[C@H]1C(=O)OC
InChIInChI=1S/C17H30N2O6/c1-6-12(18-16(23)25-17(2,3)4)14(21)19-11(10-20)8-7-9-13(19)15(22)24-5/h11-13,20H,6-10H2,1-5H3,(H,18,23)/t11-,12+,13+/m1/s1
InChIKeyTVOZYPADAQQPLZ-AGIUHOORSA-N
MW358.44 g/mol
LogP1.20
Rot. Bonds5

About methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate

methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate (PubChem CID 58357137) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate
PubChem CID58357137
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Namemethyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](CO)CCC[C@H]1C(=O)OC
InChIInChI=1S/C17H30N2O6/c1-6-12(18-16(23)25-17(2,3)4)14(21)19-11(10-20)8-7-9-13(19)15(22)24-5/h11-13,20H,6-10H2,1-5H3,(H,18,23)/t11-,12+,13+/m1/s1
InChIKeyTVOZYPADAQQPLZ-AGIUHOORSA-N
XLogP1.20
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(3R,6R,15R)-15-(hydroxymethyl)-2,5-dioxo-3-propan-2-yl-1,4-diazacyclopentadec-6-yl]carbamate
CID 44346384
(S)-tert-butyl 1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-ylcarbamate
CID 52950031
3-Tert-butoxycarbonylamino-piperidine-2-carboxylic acid
CID 4072625
tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate
CID 52947269
epsilon-t-Butoxycarbonyl (boc)-l-lysine
CID 54477683
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-piperidin-2-ylpentanoic acid
CID 132487371
tert-butyl (2S)-2-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-6-hydroxyhexanoate
CID 162418695
Nalpha,Nepsilon-di-t-butoxycarbonyl-delta-fluoro-epsilon-carboxylysyl-L-alanine t-butyl ester
CID 86742037
trans-Myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester
CID 10813018
Boc-Ala-Aib-Pip-OMe
CID 101181466
epsilon-Boc-l-lysine morpholide
CID 129869940
Boc-L-Asu-L-Ala-Gly-OMe
CID 134826035

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate (CID 58357137) is methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate is CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](CO)CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
The InChIKey is TVOZYPADAQQPLZ-AGIUHOORSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-6-12(18-16(23)25-17(2,3)4)14(21)19-11(10-20)8-7-9-13(19)15(22)24-5/h11-13,20H,6-10H2,1-5H3,(H,18,23)/t11-,12+,13+/m1/s1.
What are the key properties of methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-6-(hydroxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 58357137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).