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

C18H30N2O7 — CID 58357108

IUPACmethyl (2S,6R)-6-(formyloxymethyl)-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](COC=O)CCC[C@H]1C(=O)OC
InChIInChI=1S/C18H30N2O7/c1-6-13(19-17(24)27-18(2,3)4)15(22)20-12(10-26-11-21)8-7-9-14(20)16(23)25-5/h11-14H,6-10H2,1-5H3,(H,19,24)/t12-,13+,14+/m1/s1
InChIKeyBALBSZXVKKHIAW-RDBSUJKOSA-N
MW386.45 g/mol
LogP1.39
Rot. Bonds7

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

methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate (PubChem CID 58357108) has the molecular formula C18H30N2O7 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate
PubChem CID58357108
Molecular FormulaC18H30N2O7
Molecular Weight386.45 g/mol
Exact Mass386.21
IUPAC Namemethyl (2S,6R)-6-(formyloxymethyl)-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](COC=O)CCC[C@H]1C(=O)OC
InChIInChI=1S/C18H30N2O7/c1-6-13(19-17(24)27-18(2,3)4)15(22)20-12(10-26-11-21)8-7-9-14(20)16(23)25-5/h11-14H,6-10H2,1-5H3,(H,19,24)/t12-,13+,14+/m1/s1
InChIKeyBALBSZXVKKHIAW-RDBSUJKOSA-N
XLogP1.39
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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

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Related Compounds

rac-methyl (2R,3S)-3-{[(tert-butoxy)carbonyl]amino}piperidine-2-carboxylate
CID 96531823
1-O-tert-butyl 6-O-ethyl (6S)-4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate
CID 164630633
trans-Myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester
CID 10813018
methyl (2S,5S,8aS)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxylate
CID 12017932
Boc-Ala-Aib-Pip-OMe
CID 101181466
epsilon-Boc-l-lysine morpholide
CID 129869940
Boc-Apm(1)-OMe.Boc-Lys(1)-OMe
CID 166446088
1-Tert-butyl 6-ethyl 4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate
CID 110200325
methyl 12-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]dodecanoate
CID 11025778
Methyl 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate
CID 46237589
Tert-butyl 2-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 398400
tert-butyl 2-[(3S)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-oxopiperazin-1-yl]acetate
CID 11014509

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate (CID 58357108) is methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,6R)-6-(formyloxymethyl)-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](COC=O)CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
The InChIKey is BALBSZXVKKHIAW-RDBSUJKOSA-N. The full InChI is InChI=1S/C18H30N2O7/c1-6-13(19-17(24)27-18(2,3)4)15(22)20-12(10-26-11-21)8-7-9-14(20)16(23)25-5/h11-14H,6-10H2,1-5H3,(H,19,24)/t12-,13+,14+/m1/s1.
What are the key properties of methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate?
methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-6-(formyloxymethyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 58357108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).