(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid

C9H19NO3S — CID 61149860

IUPAC(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid
SMILESCCCCOCCSC[C@H](N)C(=O)O
InChIInChI=1S/C9H19NO3S/c1-2-3-4-13-5-6-14-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyNVMNATRXDBLDHM-QMMMGPOBSA-N
MW221.32 g/mol
LogP0.95
Rot. Bonds9

About (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid

(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid (PubChem CID 61149860) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid
PubChem CID61149860
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid
SMILESCCCCOCCSC[C@H](N)C(=O)O
InChIInChI=1S/C9H19NO3S/c1-2-3-4-13-5-6-14-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyNVMNATRXDBLDHM-QMMMGPOBSA-N
XLogP0.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propanoic acid
CID 104563565
(2S)-2-amino-3-(2-propoxyethylsulfanyl)propanoic acid
CID 107773252
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid
CID 106725277
ethyl (2R)-2-amino-3-pentylsulfanylpropanoate
CID 57063851
2-amino-3-decoxypropanoic acid
CID 134329186
(2R)-2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid
CID 56622923
(2S)-2-amino-3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid
CID 93031279
acetic acid;1-butoxybutane
CID 22256220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid (CID 61149860) is (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid is CCCCOCCSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid?
The InChIKey is NVMNATRXDBLDHM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-3-4-13-5-6-14-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid?
(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid has a molecular weight of 221.32 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid is sourced from PubChem (CID 61149860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).