(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid

C11H15NO3S — CID 95332881

IUPAC(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCc1ccsc1C(=O)N[C@H](C)CCC(=O)O
InChIInChI=1S/C11H15NO3S/c1-7-5-6-16-10(7)11(15)12-8(2)3-4-9(13)14/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyBXPRZDGAKQDKDN-MRVPVSSYSA-N
MW241.31 g/mol
LogP2.04
Rot. Bonds5

About (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid

(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 95332881) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
PubChem CID95332881
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCc1ccsc1C(=O)N[C@H](C)CCC(=O)O
InChIInChI=1S/C11H15NO3S/c1-7-5-6-16-10(7)11(15)12-8(2)3-4-9(13)14/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyBXPRZDGAKQDKDN-MRVPVSSYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid (CID 95332881) is (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid is Cc1ccsc1C(=O)N[C@H](C)CCC(=O)O.
What is the InChIKey of (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is BXPRZDGAKQDKDN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-5-6-16-10(7)11(15)12-8(2)3-4-9(13)14/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid?
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 241.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 95332881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).