(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid

C10H15NO2S — CID 130623525

IUPAC(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
SMILESCc1csc([C@@H](N)C(C)(C)C(=O)O)c1
InChIInChI=1S/C10H15NO2S/c1-6-4-7(14-5-6)8(11)10(2,3)9(12)13/h4-5,8H,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyRHRAXEQTFNHIRL-MRVPVSSYSA-N
MW213.30 g/mol
LogP2.17
Rot. Bonds3

About (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid

(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid (PubChem CID 130623525) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
PubChem CID130623525
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
SMILESCc1csc([C@@H](N)C(C)(C)C(=O)O)c1
InChIInChI=1S/C10H15NO2S/c1-6-4-7(14-5-6)8(11)10(2,3)9(12)13/h4-5,8H,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyRHRAXEQTFNHIRL-MRVPVSSYSA-N
XLogP2.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
CID 55296384
2-(4-methylthiophen-2-yl)propanamide
CID 90822856
2,4-bis(4-methylthiophen-2-yl)pentan-3-one
CID 67705817
3-methyl-2-(4-methylthiophen-2-yl)butanoic acid
CID 23317022
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956
methyl 3-amino-3-(4-methylthiophen-2-yl)propanoate
CID 57362735
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993
2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanol
CID 144518338
1-(4-methylthiophen-2-yl)prop-2-en-1-amine
CID 55294447
5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid
CID 170904569

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid?
The IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid (CID 130623525) is (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid is Cc1csc([C@@H](N)C(C)(C)C(=O)O)c1.
What is the InChIKey of (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid?
The InChIKey is RHRAXEQTFNHIRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6-4-7(14-5-6)8(11)10(2,3)9(12)13/h4-5,8H,11H2,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid?
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid has a molecular weight of 213.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 130623525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).