2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid

C13H19NO2S — CID 103257602

IUPAC2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
SMILESCC(C)(CNC(C(=O)O)C1CC1)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-13(2,10-4-3-7-17-10)8-14-11(12(15)16)9-5-6-9/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyRCDWXOZLKOVBSW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.48
Rot. Bonds6

About 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid

2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid (PubChem CID 103257602) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
PubChem CID103257602
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
SMILESCC(C)(CNC(C(=O)O)C1CC1)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-13(2,10-4-3-7-17-10)8-14-11(12(15)16)9-5-6-9/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyRCDWXOZLKOVBSW-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanoic acid
CID 103257586
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
CID 78963148
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
CID 103257847
N-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80526744
cis-(1R,2S)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 124571467
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
CID 78963633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid (CID 103257602) is 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid is CC(C)(CNC(C(=O)O)C1CC1)c1cccs1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid?
The InChIKey is RCDWXOZLKOVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,10-4-3-7-17-10)8-14-11(12(15)16)9-5-6-9/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid?
2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid has a molecular weight of 253.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid is sourced from PubChem (CID 103257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).