2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid

C11H15NO2S — CID 61448732

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-8(11(13)14)12(9-4-5-9)7-10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,14)
InChIKeyXZSAUTQNNRGKAX-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.19
Rot. Bonds5

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid

2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid (PubChem CID 61448732) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
PubChem CID61448732
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-8(11(13)14)12(9-4-5-9)7-10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,14)
InChIKeyXZSAUTQNNRGKAX-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
CID 63577701
2-[cyclopropyl(6-thiophen-2-ylhexanoyl)amino]propanoic acid
CID 119203403
2-[cyclopropyl-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]amino]propanoic acid
CID 122100383
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid (CID 61448732) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid is CC(C(=O)O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid?
The InChIKey is XZSAUTQNNRGKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(11(13)14)12(9-4-5-9)7-10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid has a molecular weight of 225.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 61448732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).