(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid

C11H15NO4S — CID 107564238

IUPAC(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(OC)cs1)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-3-4-8(11(14)15)12-10(13)9-5-7(16-2)6-17-9/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyDIOHSZWDJDABMB-QMMMGPOBSA-N
MW257.31 g/mol
LogP1.74
Rot. Bonds6

About (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid

(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 107564238) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
PubChem CID107564238
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(OC)cs1)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-3-4-8(11(14)15)12-10(13)9-5-7(16-2)6-17-9/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyDIOHSZWDJDABMB-QMMMGPOBSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-hex-5-yn-3-yl-4-methoxythiophene-2-carboxamide
CID 115670893
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid (CID 107564238) is (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1cc(OC)cs1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is DIOHSZWDJDABMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-4-8(11(14)15)12-10(13)9-5-7(16-2)6-17-9/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid?
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).