methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate

C13H20N2O4S — CID 15889784

IUPACmethyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CCNC(=O)OC(C)(C)C)csc1N
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)19-12(17)15-6-5-8-7-20-10(14)9(8)11(16)18-4/h7H,5-6,14H2,1-4H3,(H,15,17)
InChIKeyLNFBALKSOHMRML-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.18
Rot. Bonds4

About methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate

methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate (PubChem CID 15889784) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate
PubChem CID15889784
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CCNC(=O)OC(C)(C)C)csc1N
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)19-12(17)15-6-5-8-7-20-10(14)9(8)11(16)18-4/h7H,5-6,14H2,1-4H3,(H,15,17)
InChIKeyLNFBALKSOHMRML-UHFFFAOYSA-N
XLogP2.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-propylthiophene-3-carboxylate
CID 10559922
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl N-[2-(5-amino-2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 139270530
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]furan-3-carboxylate
CID 99988506
tert-butyl N-[3-[2,5-diamino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]propyl]carbamate
CID 143983002
methyl 2-chloro-6-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 89467468
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]naphthalene-1-carboxylic acid
CID 69452864
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
CID 18457008

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate (CID 15889784) is methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate is COC(=O)c1c(CCNC(=O)OC(C)(C)C)csc1N.
What is the InChIKey of methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate?
The InChIKey is LNFBALKSOHMRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(17)15-6-5-8-7-20-10(14)9(8)11(16)18-4/h7H,5-6,14H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate?
methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate is sourced from PubChem (CID 15889784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).