2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid

C15H22N2O2S — CID 122041559

IUPAC2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2ccsc2)C1
InChIInChI=1S/C15H22N2O2S/c18-15(19)9-17(8-11-1-2-11)14-5-13(6-14)16-7-12-3-4-20-10-12/h3-4,10-11,13-14,16H,1-2,5-9H2,(H,18,19)
InChIKeySPWXWGJORBQMLJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.17
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid (PubChem CID 122041559) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
PubChem CID122041559
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2ccsc2)C1
InChIInChI=1S/C15H22N2O2S/c18-15(19)9-17(8-11-1-2-11)14-5-13(6-14)16-7-12-3-4-20-10-12/h3-4,10-11,13-14,16H,1-2,5-9H2,(H,18,19)
InChIKeySPWXWGJORBQMLJ-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592
2-[cyclopropylmethyl-[3-(thiophen-3-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072028
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041267
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
2-[[3-[(4-chloro-3-nitrophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041557
2-[[3-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041410
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122041364
2-[cyclopropylmethyl-[3-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041427
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041512
2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041724

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid (CID 122041559) is 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NCc2ccsc2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid?
The InChIKey is SPWXWGJORBQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(19)9-17(8-11-1-2-11)14-5-13(6-14)16-7-12-3-4-20-10-12/h3-4,10-11,13-14,16H,1-2,5-9H2,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid has a molecular weight of 294.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).