methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate

C11H15NO2S — CID 60714004

IUPACmethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1cccs1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-14-10(13)7-12-11(8-4-5-8)9-3-2-6-15-9/h2-3,6,8,11-12H,4-5,7H2,1H3
InChIKeyYKXRNBSAQWTCRC-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.96
Rot. Bonds5

About methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate

methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate (PubChem CID 60714004) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
PubChem CID60714004
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1cccs1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-14-10(13)7-12-11(8-4-5-8)9-3-2-6-15-9/h2-3,6,8,11-12H,4-5,7H2,1H3
InChIKeyYKXRNBSAQWTCRC-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 115900267
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
tert-butyl N-[3-[[cyclopropyl(thiophen-2-yl)methyl]amino]propyl]carbamate
CID 103910636
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate (CID 60714004) is methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate is COC(=O)CNC(c1cccs1)C1CC1.
What is the InChIKey of methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate?
The InChIKey is YKXRNBSAQWTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-10(13)7-12-11(8-4-5-8)9-3-2-6-15-9/h2-3,6,8,11-12H,4-5,7H2,1H3.
What are the key properties of methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate?
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate has a molecular weight of 225.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate is sourced from PubChem (CID 60714004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).