2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid

C9H17NO5S — CID 24820522

IUPAC2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)S(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-5(2)3-7(9(13)14)16(15)4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,16?/m0/s1
InChIKeyPQKYNTGIIBTYMD-IEBOQKFYSA-N
MW251.30 g/mol
LogP-0.35
Rot. Bonds7

About 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid

2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid (PubChem CID 24820522) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid
PubChem CID24820522
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)S(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-5(2)3-7(9(13)14)16(15)4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,16?/m0/s1
InChIKeyPQKYNTGIIBTYMD-IEBOQKFYSA-N
XLogP-0.35
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-amino-2-carboxyethyl]sulfinylbutanoic acid
CID 153344560
CID 6369563
CID 6369563
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid?
The IUPAC name of 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid (CID 24820522) is 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid?
The canonical SMILES for 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid is CC(C)CC(C(=O)O)S(=O)C[C@H](N)C(=O)O.
What is the InChIKey of 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid?
The InChIKey is PQKYNTGIIBTYMD-IEBOQKFYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-5(2)3-7(9(13)14)16(15)4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,16?/m0/s1.
What are the key properties of 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid?
2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-4-methylpentanoic acid is sourced from PubChem (CID 24820522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).