2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid

C13H18N2O3S — CID 103996026

IUPAC2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(=O)O)C2CC2)s1
InChIInChI=1S/C13H18N2O3S/c1-2-10-5-6-11(19-10)7-14-13(18)15(8-12(16)17)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyGGTZKRAXMADUCS-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.07
Rot. Bonds6

About 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 103996026) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID103996026
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(=O)O)C2CC2)s1
InChIInChI=1S/C13H18N2O3S/c1-2-10-5-6-11(19-10)7-14-13(18)15(8-12(16)17)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyGGTZKRAXMADUCS-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579
2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005640
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415
2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 82748868
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]butanoic acid
CID 106005581
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-methylamino]butanoic acid
CID 106005533
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
6-[(5-ethylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103822739
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106005647

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid (CID 103996026) is 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid is CCc1ccc(CNC(=O)N(CC(=O)O)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is GGTZKRAXMADUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-10-5-6-11(19-10)7-14-13(18)15(8-12(16)17)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 282.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 103996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).