3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid

C13H18N2O3S — CID 61435483

IUPAC3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-14(6-4-12(16)17)13(18)15(11-2-3-11)8-10-5-7-19-9-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,16,17)
InChIKeyGCLNENHXTIJZAV-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.24
Rot. Bonds6

About 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid

3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 61435483) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
PubChem CID61435483
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-14(6-4-12(16)17)13(18)15(11-2-3-11)8-10-5-7-19-9-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,16,17)
InChIKeyGCLNENHXTIJZAV-UHFFFAOYSA-N
XLogP2.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283394
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43528496
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid (CID 61435483) is 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is GCLNENHXTIJZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-14(6-4-12(16)17)13(18)15(11-2-3-11)8-10-5-7-19-9-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,16,17).
What are the key properties of 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid?
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 282.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 61435483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).