(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid

C9H19NO3S — CID 10398597

IUPAC(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid
SMILESCC(C)(C)SCC[C@@H](N)C(O)C(=O)O
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14-5-4-6(10)7(11)8(12)13/h6-7,11H,4-5,10H2,1-3H3,(H,12,13)/t6-,7?/m1/s1
InChIKeyCSBHPWQVPBORQK-ULUSZKPHSA-N
MW221.32 g/mol
LogP0.68
Rot. Bonds5

About (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid

(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid (PubChem CID 10398597) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid
PubChem CID10398597
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid
SMILESCC(C)(C)SCC[C@@H](N)C(O)C(=O)O
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14-5-4-6(10)7(11)8(12)13/h6-7,11H,4-5,10H2,1-3H3,(H,12,13)/t6-,7?/m1/s1
InChIKeyCSBHPWQVPBORQK-ULUSZKPHSA-N
XLogP0.68
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11205843
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CID 10749769
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CID 87495768
3-amino-2,4-dihydroxybutanoic acid
CID 14888070
3-tert-butylsulfanylpropanamide
CID 21060365
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid
CID 166684315
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
CID 91155039
1,2-Bis(tert-butylthio)ethane Borane
CID 23106025
(2S)-2-amino-3-(3-hydroxy-3-methylbutyl)sulfanyl-3-methylbutanoic acid
CID 106443558

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid?
The IUPAC name of (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid (CID 10398597) is (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid.
What is the SMILES notation for (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid?
The canonical SMILES for (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid is CC(C)(C)SCC[C@@H](N)C(O)C(=O)O.
What is the InChIKey of (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid?
The InChIKey is CSBHPWQVPBORQK-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)14-5-4-6(10)7(11)8(12)13/h6-7,11H,4-5,10H2,1-3H3,(H,12,13)/t6-,7?/m1/s1.
What are the key properties of (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid?
(3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid has a molecular weight of 221.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-tert-butylsulfanyl-2-hydroxypentanoic acid is sourced from PubChem (CID 10398597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).