2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid

C11H15NO2S — CID 103257847

IUPAC2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
SMILESC[C@@H](NC(C(=O)O)C1CC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-7(9-3-2-6-15-9)12-10(11(13)14)8-4-5-8/h2-3,6-8,10,12H,4-5H2,1H3,(H,13,14)/t7-,10?/m1/s1
InChIKeyPFFQOAPUVALBRL-PVSHWOEXSA-N
MW225.31 g/mol
LogP2.26
Rot. Bonds5

About 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid

2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid (PubChem CID 103257847) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
PubChem CID103257847
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
SMILESC[C@@H](NC(C(=O)O)C1CC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-7(9-3-2-6-15-9)12-10(11(13)14)8-4-5-8/h2-3,6-8,10,12H,4-5H2,1H3,(H,13,14)/t7-,10?/m1/s1
InChIKeyPFFQOAPUVALBRL-PVSHWOEXSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid with MolForge

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Related Compounds

2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61199438
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
CID 103257602
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid (CID 103257847) is 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid is C[C@@H](NC(C(=O)O)C1CC1)c1cccs1.
What is the InChIKey of 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid?
The InChIKey is PFFQOAPUVALBRL-PVSHWOEXSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7(9-3-2-6-15-9)12-10(11(13)14)8-4-5-8/h2-3,6-8,10,12H,4-5H2,1H3,(H,13,14)/t7-,10?/m1/s1.
What are the key properties of 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid?
2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid has a molecular weight of 225.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid is sourced from PubChem (CID 103257847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).