methyl (2R)-2-(thiophene-2-carbonylamino)propanoate

C9H11NO3S — CID 90680467

IUPACmethyl (2R)-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyRGWBJRKEIGMOOW-ZCFIWIBFSA-N
MW213.26 g/mol
LogP1.04
Rot. Bonds3

About methyl (2R)-2-(thiophene-2-carbonylamino)propanoate

methyl (2R)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 90680467) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl (2R)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID90680467
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl (2R)-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyRGWBJRKEIGMOOW-ZCFIWIBFSA-N
XLogP1.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stepronin
CID 54120
Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
l-Proline, N-(2-thienylcarbonyl)-, methyl ester
CID 531389
[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
N-cyclooctylthiophene-2-carboxamide
CID 673377
Ethyl 2-[(5-bromo-2-thienyl)carbonylamino]acetate
CID 2225106
Ethyl 2-[(5-chloro-2-thienyl)carbonylamino]acetate
CID 2225367

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-2-(thiophene-2-carbonylamino)propanoate (CID 90680467) is methyl (2R)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(thiophene-2-carbonylamino)propanoate is COC(=O)[C@@H](C)NC(=O)c1cccs1.
What is the InChIKey of methyl (2R)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is RGWBJRKEIGMOOW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of methyl (2R)-2-(thiophene-2-carbonylamino)propanoate?
methyl (2R)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 213.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 90680467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).