methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate

C15H25NO4 — CID 156758116

IUPACmethyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate
SMILESCOC(=O)[C@]1(C)CCC2CC2C1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-11-10-8-9(10)6-7-15(11,4)12(17)19-5/h9-11H,6-8H2,1-5H3,(H,16,18)/t9?,10?,11?,15-/m1/s1
InChIKeyDEDVYQNTPXYMCA-FEATYDQSSA-N
MW283.37 g/mol
LogP2.49
Rot. Bonds2

About methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate

methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 156758116) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate
PubChem CID156758116
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate
SMILESCOC(=O)[C@]1(C)CCC2CC2C1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-11-10-8-9(10)6-7-15(11,4)12(17)19-5/h9-11H,6-8H2,1-5H3,(H,16,18)/t9?,10?,11?,15-/m1/s1
InChIKeyDEDVYQNTPXYMCA-FEATYDQSSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate with MolForge

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Related Compounds

4-cyclopropyl-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 165462591
cis-(1R,2R)-1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 66679596
tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfanylcyclopentane-1-carboxylate
CID 58784476
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2R,3S,4S)-1,3-dimethyl-5-oxo-2-bicyclo[2.2.2]octanyl]carbamate
CID 129413213
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate
CID 76672221

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate (CID 156758116) is methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate is COC(=O)[C@]1(C)CCC2CC2C1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is DEDVYQNTPXYMCA-FEATYDQSSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-11-10-8-9(10)6-7-15(11,4)12(17)19-5/h9-11H,6-8H2,1-5H3,(H,16,18)/t9?,10?,11?,15-/m1/s1.
What are the key properties of methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate?
methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 156758116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).