methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate

C9H11NO3S — CID 112616741

IUPACmethyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
SMILESCOC(=O)C(=O)NC(C)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-6(7-4-3-5-14-7)10-8(11)9(12)13-2/h3-6H,1-2H3,(H,10,11)
InChIKeyDOOVXKSHQFTLNU-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate

methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate (PubChem CID 112616741) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
PubChem CID112616741
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
SMILESCOC(=O)C(=O)NC(C)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-6(7-4-3-5-14-7)10-8(11)9(12)13-2/h3-6H,1-2H3,(H,10,11)
InChIKeyDOOVXKSHQFTLNU-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
methyl 2-thiophen-2-ylpropanoate
CID 12819459
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate?
The IUPAC name of methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate (CID 112616741) is methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate is COC(=O)C(=O)NC(C)c1cccs1.
What is the InChIKey of methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate?
The InChIKey is DOOVXKSHQFTLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(7-4-3-5-14-7)10-8(11)9(12)13-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate?
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate has a molecular weight of 213.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate is sourced from PubChem (CID 112616741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).