2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid

C14H20N2O3S — CID 61475527

IUPAC2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)NC(C)(C(=O)O)C2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-4-7-11(20-8)9(2)15-13(19)16-14(3,12(17)18)10-5-6-10/h4,7,9-10H,5-6H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWZJOAGMEOJKHRA-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.67
Rot. Bonds5

About 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid

2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 61475527) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID61475527
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)NC(C)(C(=O)O)C2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-4-7-11(20-8)9(2)15-13(19)16-14(3,12(17)18)10-5-6-10/h4,7,9-10H,5-6H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWZJOAGMEOJKHRA-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61197563
(2S)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61476029
2,2-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 65300338
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033016
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095422
3-methyl-2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65223596
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid (CID 61475527) is 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid is Cc1ccc(C(C)NC(=O)NC(C)(C(=O)O)C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is WZJOAGMEOJKHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-4-7-11(20-8)9(2)15-13(19)16-14(3,12(17)18)10-5-6-10/h4,7,9-10H,5-6H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61475527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).