2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid

C13H20N2O3S — CID 65221822

IUPAC2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)c1ccsc1)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-3-4-10(12(16)17)7-14-13(18)15-9(2)11-5-6-19-8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyOFEBXNNZOGIBKB-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.61
Rot. Bonds7

About 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid

2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65221822) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65221822
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC(C)c1ccsc1)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-3-4-10(12(16)17)7-14-13(18)15-9(2)11-5-6-19-8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyOFEBXNNZOGIBKB-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65224155
2-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65221198
2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65223595
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
3-methoxy-2-(1-thiophen-3-ylethylcarbamoylamino)propanoic acid
CID 81080977
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81162908

Frequently Asked Questions

What is the IUPAC name of 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid (CID 65221822) is 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NC(C)c1ccsc1)C(=O)O.
What is the InChIKey of 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is OFEBXNNZOGIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-4-10(12(16)17)7-14-13(18)15-9(2)11-5-6-19-8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid?
2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65221822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).