methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate

C10H11NO2S — CID 15817196

IUPACmethyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate
SMILESCOC(=O)[C@H](N)CC#Cc1cccs1
InChIInChI=1S/C10H11NO2S/c1-13-10(12)9(11)6-2-4-8-5-3-7-14-8/h3,5,7,9H,6,11H2,1H3/t9-/m1/s1
InChIKeySOHCKEQOCRTZTG-SECBINFHSA-N
MW209.27 g/mol
LogP0.99
Rot. Bonds2

About methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate

methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate (PubChem CID 15817196) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate
PubChem CID15817196
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Namemethyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate
SMILESCOC(=O)[C@H](N)CC#Cc1cccs1
InChIInChI=1S/C10H11NO2S/c1-13-10(12)9(11)6-2-4-8-5-3-7-14-8/h3,5,7,9H,6,11H2,1H3/t9-/m1/s1
InChIKeySOHCKEQOCRTZTG-SECBINFHSA-N
XLogP0.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
4-thiophen-2-ylbut-3-ynyl acetate
CID 173182439
ethyl 4-thiophen-2-ylbut-3-ynoate
CID 170470618
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
CID 170884292
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-thiophen-2-ylprop-2-ynyl)amino]propanoic acid
CID 101156080
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
4-thiophen-2-ylbut-3-ynenitrile
CID 170474196
N-tert-butyl-4-thiophen-2-ylbut-3-yn-1-amine
CID 58124810
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate?
The IUPAC name of methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate (CID 15817196) is methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate.
What is the SMILES notation for methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate?
The canonical SMILES for methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate is COC(=O)[C@H](N)CC#Cc1cccs1.
What is the InChIKey of methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate?
The InChIKey is SOHCKEQOCRTZTG-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-13-10(12)9(11)6-2-4-8-5-3-7-14-8/h3,5,7,9H,6,11H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate?
methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate has a molecular weight of 209.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-5-thiophen-2-ylpent-4-ynoate is sourced from PubChem (CID 15817196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).