methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate

C12H18N2O3S — CID 61108861

IUPACmethyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(N)c(C)s1)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-7(2)14(6-11(15)17-4)12(16)10-5-9(13)8(3)18-10/h5,7H,6,13H2,1-4H3
InChIKeyBGYVFGKZMMQRDN-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 61108861) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID61108861
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(N)c(C)s1)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-7(2)14(6-11(15)17-4)12(16)10-5-9(13)8(3)18-10/h5,7H,6,13H2,1-4H3
InChIKeyBGYVFGKZMMQRDN-UHFFFAOYSA-N
XLogP1.66
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
CID 55135924
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885487
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate (CID 61108861) is methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc(N)c(C)s1)C(C)C.
What is the InChIKey of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is BGYVFGKZMMQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7(2)14(6-11(15)17-4)12(16)10-5-9(13)8(3)18-10/h5,7H,6,13H2,1-4H3.
What are the key properties of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 61108861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).