2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid

C13H17NO3S — CID 43655380

IUPAC2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC2CC2)sc1C
InChIInChI=1S/C13H17NO3S/c1-8-5-11(18-9(8)2)13(17)14(7-12(15)16)6-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeySUKNUZTYTBGWRG-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.30
Rot. Bonds5

About 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 43655380) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid
PubChem CID43655380
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC2CC2)sc1C
InChIInChI=1S/C13H17NO3S/c1-8-5-11(18-9(8)2)13(17)14(7-12(15)16)6-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeySUKNUZTYTBGWRG-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid (CID 43655380) is 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)CC2CC2)sc1C.
What is the InChIKey of 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is SUKNUZTYTBGWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-5-11(18-9(8)2)13(17)14(7-12(15)16)6-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).