ethyl (2R)-2-amino-3-pentylsulfanylpropanoate

C10H21NO2S — CID 57063851

IUPACethyl (2R)-2-amino-3-pentylsulfanylpropanoate
SMILESCCCCCSC[C@H](N)C(=O)OCC
InChIInChI=1S/C10H21NO2S/c1-3-5-6-7-14-8-9(11)10(12)13-4-2/h9H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyWYPHHRAZIDLROB-VIFPVBQESA-N
MW219.35 g/mol
LogP1.80
Rot. Bonds8

About ethyl (2R)-2-amino-3-pentylsulfanylpropanoate

ethyl (2R)-2-amino-3-pentylsulfanylpropanoate (PubChem CID 57063851) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-pentylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-pentylsulfanylpropanoate
PubChem CID57063851
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethyl (2R)-2-amino-3-pentylsulfanylpropanoate
SMILESCCCCCSC[C@H](N)C(=O)OCC
InChIInChI=1S/C10H21NO2S/c1-3-5-6-7-14-8-9(11)10(12)13-4-2/h9H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyWYPHHRAZIDLROB-VIFPVBQESA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
ethyl 2-methyl-3-pentylsulfanylpropanoate
CID 107746182
ethyl 2-amino-4-(6-hydroxyhexylsulfanyl)butanoate
CID 107703926
ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
CID 6993069
ethyl 3-pentylsulfanyl-2-(propylamino)propanoate
CID 107755402
ethyl 2-(cyclopropylamino)-3-pentylsulfanylpropanoate
CID 107755529
methyl 2-bromo-3-pentylsulfanylpropanoate
CID 107746184
methyl 3-decylsulfanyl-2-methylpropanoate
CID 66112872
2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 11173218
ethyl 3-acetylsulfanyl-2-aminopropanoate
CID 78146596
dodecyl 2-amino-3-[(2-amino-3-dodecoxy-3-oxopropyl)disulfanyl]propanoate
CID 87067538

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-pentylsulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-amino-3-pentylsulfanylpropanoate (CID 57063851) is ethyl (2R)-2-amino-3-pentylsulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-pentylsulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-pentylsulfanylpropanoate is CCCCCSC[C@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-amino-3-pentylsulfanylpropanoate?
The InChIKey is WYPHHRAZIDLROB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-5-6-7-14-8-9(11)10(12)13-4-2/h9H,3-8,11H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (2R)-2-amino-3-pentylsulfanylpropanoate?
ethyl (2R)-2-amino-3-pentylsulfanylpropanoate has a molecular weight of 219.35 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-pentylsulfanylpropanoate is sourced from PubChem (CID 57063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).