(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid

C8H17NO3S — CID 14071075

IUPAC(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid
SMILESCCCC[S@@](=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-,13-/m1/s1
InChIKeyKOGSTWSVCBVYHO-FUXBKTLASA-N
MW207.29 g/mol
LogP0.34
Rot. Bonds7

About (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid

(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid (PubChem CID 14071075) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid
PubChem CID14071075
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid
SMILESCCCC[S@@](=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-,13-/m1/s1
InChIKeyKOGSTWSVCBVYHO-FUXBKTLASA-N
XLogP0.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-butylsulfinylbutanoic acid
CID 46780925
(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
CID 90017502
2-amino-3-pentylsulfinylpropanoic acid
CID 103846087
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S)-2-aminododecanoic acid
CID 10560640
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid (CID 14071075) is (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid is CCCC[S@@](=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid?
The InChIKey is KOGSTWSVCBVYHO-FUXBKTLASA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-,13-/m1/s1.
What are the key properties of (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid?
(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid has a molecular weight of 207.29 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid is sourced from PubChem (CID 14071075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).