(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid

C16H17NO4S — CID 129469228

IUPAC(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
SMILESCOc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1
InChIInChI=1S/C16H17NO4S/c1-11(16(19)20)17(9-12-6-4-3-5-7-12)15(18)14-8-13(21-2)10-22-14/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyYRJKSTCARFDZQM-LLVKDONJSA-N
MW319.38 g/mol
LogP2.87
Rot. Bonds6

About (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid

(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid (PubChem CID 129469228) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
PubChem CID129469228
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
SMILESCOc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1
InChIInChI=1S/C16H17NO4S/c1-11(16(19)20)17(9-12-6-4-3-5-7-12)15(18)14-8-13(21-2)10-22-14/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyYRJKSTCARFDZQM-LLVKDONJSA-N
XLogP2.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
CID 167780143
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132710924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid (CID 129469228) is (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid is COc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is YRJKSTCARFDZQM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11(16(19)20)17(9-12-6-4-3-5-7-12)15(18)14-8-13(21-2)10-22-14/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid?
(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 319.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 129469228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).