2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid

C17H25N3O3S — CID 122026960

IUPAC2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C17H25N3O3S/c1-2-19(11-16(21)22)14-8-12(9-14)18-17(23)20(13-5-6-13)10-15-4-3-7-24-15/h3-4,7,12-14H,2,5-6,8-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyHTNNQOYUNVJVOS-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.36
Rot. Bonds8

About 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122026960) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122026960
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C17H25N3O3S/c1-2-19(11-16(21)22)14-8-12(9-14)18-17(23)20(13-5-6-13)10-15-4-3-7-24-15/h3-4,7,12-14H,2,5-6,8-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyHTNNQOYUNVJVOS-UHFFFAOYSA-N
XLogP2.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
1-cyclopropyl-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(thiophen-2-ylmethyl)urea
CID 98204494
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122027039
2-[[3-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027034
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054
1-cyclopropyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 97235728
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122026960) is 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is HTNNQOYUNVJVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-19(11-16(21)22)14-8-12(9-14)18-17(23)20(13-5-6-13)10-15-4-3-7-24-15/h3-4,7,12-14H,2,5-6,8-11H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 351.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122026960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).