methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate

C12H18N2O3S — CID 115286648

IUPACmethyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(N)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-3-6-14(8-10(15)17-2)12(16)11(13)9-5-4-7-18-9/h4-5,7,11H,3,6,8,13H2,1-2H3
InChIKeyWECOJPUCBRPYJT-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate

methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate (PubChem CID 115286648) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate
PubChem CID115286648
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(N)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-3-6-14(8-10(15)17-2)12(16)11(13)9-5-4-7-18-9/h4-5,7,11H,3,6,8,13H2,1-2H3
InChIKeyWECOJPUCBRPYJT-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
CID 115286106
2-amino-N-(cyclopropylmethyl)-N-propyl-2-thiophen-2-ylacetamide
CID 115286111
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115286709
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
2-amino-N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 113279196
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate (CID 115286648) is methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)C(N)c1cccs1.
What is the InChIKey of methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate?
The InChIKey is WECOJPUCBRPYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-6-14(8-10(15)17-2)12(16)11(13)9-5-4-7-18-9/h4-5,7,11H,3,6,8,13H2,1-2H3.
What are the key properties of methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate?
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate is sourced from PubChem (CID 115286648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).