2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid

C12H17NO2S — CID 66228037

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid
SMILESCC(C)(N)CSC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,13)8-16-10(11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15)
InChIKeyGSWVGZISWJSAJD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid

2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid (PubChem CID 66228037) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid
PubChem CID66228037
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid
SMILESCC(C)(N)CSC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,13)8-16-10(11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15)
InChIKeyGSWVGZISWJSAJD-UHFFFAOYSA-N
XLogP2.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid
CID 67041690
2-(3-methoxypropylsulfanyl)-2-phenylacetic acid
CID 63857542
2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 66230141
3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 70199608
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-[2-[(2-amino-2-methylpropyl)sulfanylmethyl]phenyl]acetic acid
CID 115461007
4-[carboxy(phenyl)methyl]sulfanylbenzoic acid
CID 2876441
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid (CID 66228037) is 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid is CC(C)(N)CSC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid?
The InChIKey is GSWVGZISWJSAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,13)8-16-10(11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid?
2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid has a molecular weight of 239.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 66228037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).