2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid

C18H26ClN3O3 — CID 122025902

IUPAC2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC(C)(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN3O3/c1-4-22(11-16(23)24)15-9-14(10-15)20-17(25)21-18(2,3)12-5-7-13(19)8-6-12/h5-8,14-15H,4,9-11H2,1-3H3,(H,23,24)(H2,20,21,25)
InChIKeyAUUXANWQVCEXED-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.81
Rot. Bonds7

About 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122025902) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122025902
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC(C)(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN3O3/c1-4-22(11-16(23)24)15-9-14(10-15)20-17(25)21-18(2,3)12-5-7-13(19)8-6-12/h5-8,14-15H,4,9-11H2,1-3H3,(H,23,24)(H2,20,21,25)
InChIKeyAUUXANWQVCEXED-UHFFFAOYSA-N
XLogP2.81
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[2-(4-nitrophenyl)propan-2-ylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122026291
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073417
2-[[3-[2-(4-chlorophenoxy)propylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122004329
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[[4-(tert-butylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075351
2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122111308
2-[ethyl-[3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026419
2-[ethyl-[3-[[1-[2-(4-fluorophenyl)propan-2-yl]cyclopropyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026415
2-[[3-[[4-chloro-2-(difluoromethoxy)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122089950
2-[ethyl-[3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084823
2-[[3-[(4-chloro-2-methoxyphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001341

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122025902) is 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NC(C)(C)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is AUUXANWQVCEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-4-22(11-16(23)24)15-9-14(10-15)20-17(25)21-18(2,3)12-5-7-13(19)8-6-12/h5-8,14-15H,4,9-11H2,1-3H3,(H,23,24)(H2,20,21,25).
What are the key properties of 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 367.88 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122025902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).