methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate

C16H24N2O6 — CID 171885304

IUPACmethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(O)C(O)CCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H24N2O6/c1-16(2,3)24-15(22)17-8-7-12(19)13(20)11-6-5-10(9-18-11)14(21)23-4/h5-6,9,12-13,19-20H,7-8H2,1-4H3,(H,17,22)
InChIKeyMASBFKTXRSJIMG-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.18
Rot. Bonds6

About methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate

methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate (PubChem CID 171885304) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
PubChem CID171885304
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Namemethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(O)C(O)CCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H24N2O6/c1-16(2,3)24-15(22)17-8-7-12(19)13(20)11-6-5-10(9-18-11)14(21)23-4/h5-6,9,12-13,19-20H,7-8H2,1-4H3,(H,17,22)
InChIKeyMASBFKTXRSJIMG-UHFFFAOYSA-N
XLogP1.18
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[3,4-dihydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]butyl]carbamate
CID 171884622
methyl 6-(4-chloro-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171894263
methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885474
tert-butyl N-[4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171884358
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
tert-butyl N-[3-(5-bromo-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833174
methyl 3-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylate
CID 171884696
methyl 5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methylpyridine-2-carboxylate
CID 171885516
6-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]pyridine-3-carboxylic acid
CID 171888519
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
CID 146650272
4-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methoxybenzoic acid
CID 171885445
tert-butyl N-[3-(5-bromo-2-pyridinyl)-3-hydroxypropyl]carbamate
CID 86713197

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate (CID 171885304) is methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(O)C(O)CCNC(=O)OC(C)(C)C)nc1.
What is the InChIKey of methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
The InChIKey is MASBFKTXRSJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-16(2,3)24-15(22)17-8-7-12(19)13(20)11-6-5-10(9-18-11)14(21)23-4/h5-6,9,12-13,19-20H,7-8H2,1-4H3,(H,17,22).
What are the key properties of methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate is sourced from PubChem (CID 171885304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).