(2R)-2-acetamido-3-nonylsulfanylpropanoic acid

C14H27NO3S — CID 12019090

IUPAC(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
SMILESCCCCCCCCCSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-9-10-19-11-13(14(17)18)15-12(2)16/h13H,3-11H2,1-2H3,(H,15,16)(H,17,18)/t13-/m0/s1
InChIKeyKBOZCUHJTRNMJO-ZDUSSCGKSA-N
MW289.44 g/mol
LogP3.06
Rot. Bonds12

About (2R)-2-acetamido-3-nonylsulfanylpropanoic acid

(2R)-2-acetamido-3-nonylsulfanylpropanoic acid (PubChem CID 12019090) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is (2R)-2-acetamido-3-nonylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
PubChem CID12019090
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
SMILESCCCCCCCCCSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-9-10-19-11-13(14(17)18)15-12(2)16/h13H,3-11H2,1-2H3,(H,15,16)(H,17,18)/t13-/m0/s1
InChIKeyKBOZCUHJTRNMJO-ZDUSSCGKSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-3-tetradecylsulfanylpropanoic acid
CID 12019095
(2R)-2-acetamido-3-butylsulfanylpropanoic acid
CID 12018986
(2S)-2-acetamido-3-propylsulfanylpropanoic acid
CID 71312782
N-[(2R)-4-chloro-1-nonylsulfanyl-3-oxobutan-2-yl]acetamide
CID 12019108
(2R)-2-acetamido-3-(3-ethoxypropylsulfanyl)propanoic acid
CID 107774697
2-acetamido-3-(2-propoxyethylsulfanyl)propanoic acid
CID 106453126
2-acetamidotetracosanoic acid
CID 13224380
sodium 2-acetamido-3-ethylsulfanylpropanoic acid
CID 170452671
4-dodecylsulfanyl-3-methylbutan-2-one
CID 20576075
2-acetamido-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoic acid
CID 175343554
3-[[(2R)-2-acetamido-3-octylsulfanylpropanoyl]-[3-(carboxyamino)propyl]amino]propylcarbamic acid
CID 134306581
4-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-oxobutanoic acid
CID 20849151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-nonylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-nonylsulfanylpropanoic acid (CID 12019090) is (2R)-2-acetamido-3-nonylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-nonylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-nonylsulfanylpropanoic acid is CCCCCCCCCSC[C@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-nonylsulfanylpropanoic acid?
The InChIKey is KBOZCUHJTRNMJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-9-10-19-11-13(14(17)18)15-12(2)16/h13H,3-11H2,1-2H3,(H,15,16)(H,17,18)/t13-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-nonylsulfanylpropanoic acid?
(2R)-2-acetamido-3-nonylsulfanylpropanoic acid has a molecular weight of 289.44 g/mol, XLogP of 3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-nonylsulfanylpropanoic acid is sourced from PubChem (CID 12019090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).