2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid

C19H21NO4S — CID 175237990

IUPAC2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid
SMILESCSCCC(N)C(=O)O.O=C(O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O2.C5H11NO2S/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-9-3-2-4(6)5(7)8/h1-8,13H,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)
InChIKeySXJOHTWEKLEAHU-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.03
Rot. Bonds5

About 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid

2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid (PubChem CID 175237990) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid
PubChem CID175237990
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid
SMILESCSCCC(N)C(=O)O.O=C(O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O2.C5H11NO2S/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-9-3-2-4(6)5(7)8/h1-8,13H,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)
InChIKeySXJOHTWEKLEAHU-UHFFFAOYSA-N
XLogP3.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 158339063
bis(2-amino-4-methylsulfanylbutanoic acid);diphenyltin
CID 10531078
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
CID 154512330
(2S)-2-amino-4-methylsulfanylbutanoic acid;phenylmethanethiol
CID 87560055
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid (CID 175237990) is 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid is CSCCC(N)C(=O)O.O=C(O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid?
The InChIKey is SXJOHTWEKLEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C5H11NO2S/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-9-3-2-4(6)5(7)8/h1-8,13H,(H,15,16);4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid?
2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid has a molecular weight of 359.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid is sourced from PubChem (CID 175237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).