(2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid

C11H21NO3S — CID 106442864

IUPAC(2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid
SMILESCC1CCC(CSC(C)(C)[C@H](N)C(=O)O)O1
InChIInChI=1S/C11H21NO3S/c1-7-4-5-8(15-7)6-16-11(2,3)9(12)10(13)14/h7-9H,4-6,12H2,1-3H3,(H,13,14)/t7?,8?,9-/m1/s1
InChIKeyDYPNYAMIWYIUJC-AMDVSUOASA-N
MW247.36 g/mol
LogP1.48
Rot. Bonds5

About (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid

(2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid (PubChem CID 106442864) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid
PubChem CID106442864
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid
SMILESCC1CCC(CSC(C)(C)[C@H](N)C(=O)O)O1
InChIInChI=1S/C11H21NO3S/c1-7-4-5-8(15-7)6-16-11(2,3)9(12)10(13)14/h7-9H,4-6,12H2,1-3H3,(H,13,14)/t7?,8?,9-/m1/s1
InChIKeyDYPNYAMIWYIUJC-AMDVSUOASA-N
XLogP1.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106442961
(2S)-2-amino-3-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)-3-methylbutanoic acid
CID 106443124
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581
(2S)-2-amino-3-(2-carboxy-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 106443556
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
(2R)-2-amino-3-(2-ethylsulfanylethylsulfanyl)-3-methylbutanoic acid
CID 106442632
(2R)-2-amino-3-(3-hydroxypropylsulfanyl)-3-methylbutanoic acid
CID 106442193
(2R)-2-amino-3-(cyanomethylsulfanyl)-3-methylbutanoic acid
CID 106442264
(2S)-2-amino-3-methyl-3-prop-2-enylsulfanylbutanoic acid
CID 13127849
(2S)-2-amino-3-(3-hydroxy-3-methylbutyl)sulfanyl-3-methylbutanoic acid
CID 106443558
(2R)-2-amino-3-[[(2S,5R)-5-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethyl]oxolan-2-yl]methylsulfanyl]propanoic acid
CID 118169303
(2R)-2-amino-3-benzylsulfanyl-3-methylbutanoic acid
CID 3246108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid?
The IUPAC name of (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid (CID 106442864) is (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid.
What is the SMILES notation for (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid?
The canonical SMILES for (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid is CC1CCC(CSC(C)(C)[C@H](N)C(=O)O)O1.
What is the InChIKey of (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid?
The InChIKey is DYPNYAMIWYIUJC-AMDVSUOASA-N. The full InChI is InChI=1S/C11H21NO3S/c1-7-4-5-8(15-7)6-16-11(2,3)9(12)10(13)14/h7-9H,4-6,12H2,1-3H3,(H,13,14)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid?
(2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid has a molecular weight of 247.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-3-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid is sourced from PubChem (CID 106442864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).