methyl (3R)-3-amino-4-thiophen-2-ylbutanoate

C9H13NO2S — CID 141263920

IUPACmethyl (3R)-3-amino-4-thiophen-2-ylbutanoate
SMILESCOC(=O)C[C@@H](N)Cc1cccs1
InChIInChI=1S/C9H13NO2S/c1-12-9(11)6-7(10)5-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3/t7-/m0/s1
InChIKeyGYNFRLVSNGGLJP-ZETCQYMHSA-N
MW199.28 g/mol
LogP1.18
Rot. Bonds4

About methyl (3R)-3-amino-4-thiophen-2-ylbutanoate

methyl (3R)-3-amino-4-thiophen-2-ylbutanoate (PubChem CID 141263920) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl (3R)-3-amino-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-4-thiophen-2-ylbutanoate
PubChem CID141263920
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl (3R)-3-amino-4-thiophen-2-ylbutanoate
SMILESCOC(=O)C[C@@H](N)Cc1cccs1
InChIInChI=1S/C9H13NO2S/c1-12-9(11)6-7(10)5-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3/t7-/m0/s1
InChIKeyGYNFRLVSNGGLJP-ZETCQYMHSA-N
XLogP1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
methyl 3-hydroxy-4-(thiophen-2-ylmethylamino)butanoate
CID 115123322
methyl 2-(thiophen-2-ylmethyl)butanoate;methyl 3-thiophen-2-ylpropanoate
CID 158347877
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
methyl 3-amino-5,5,5-trifluoro-2-(thiophen-2-ylmethyl)pentanoate
CID 171618098
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
methyl 3-amino-4-[4-(2-methylpropyl)phenyl]butanoate
CID 82351578
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
methyl 4-oxo-3-(propan-2-ylamino)-4-thiophen-2-ylbutanoate
CID 82348614

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-4-thiophen-2-ylbutanoate?
The IUPAC name of methyl (3R)-3-amino-4-thiophen-2-ylbutanoate (CID 141263920) is methyl (3R)-3-amino-4-thiophen-2-ylbutanoate.
What is the SMILES notation for methyl (3R)-3-amino-4-thiophen-2-ylbutanoate?
The canonical SMILES for methyl (3R)-3-amino-4-thiophen-2-ylbutanoate is COC(=O)C[C@@H](N)Cc1cccs1.
What is the InChIKey of methyl (3R)-3-amino-4-thiophen-2-ylbutanoate?
The InChIKey is GYNFRLVSNGGLJP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-9(11)6-7(10)5-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3/t7-/m0/s1.
What are the key properties of methyl (3R)-3-amino-4-thiophen-2-ylbutanoate?
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate has a molecular weight of 199.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 141263920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).