2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid

C15H22N2O5 — CID 122042779

IUPAC2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(C(=O)OC)o2)C1
InChIInChI=1S/C15H22N2O5/c1-3-17(9-14(18)19)11-6-10(7-11)16-8-12-4-5-13(22-12)15(20)21-2/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyPPDSDFYSWPOIJX-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.09
Rot. Bonds8

About 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122042779) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
PubChem CID122042779
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(C(=O)OC)o2)C1
InChIInChI=1S/C15H22N2O5/c1-3-17(9-14(18)19)11-6-10(7-11)16-8-12-4-5-13(22-12)15(20)21-2/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyPPDSDFYSWPOIJX-UHFFFAOYSA-N
XLogP1.09
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042528
2-[ethyl-[3-[(5-phenylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042320
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042559
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566
2-[ethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042403
2-[ethyl-[3-[(4-phenylcyclohexyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042345
2-[[3-[[4-(cyclopropylmethoxy)phenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042425
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid (CID 122042779) is 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NCc2ccc(C(=O)OC)o2)C1.
What is the InChIKey of 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is PPDSDFYSWPOIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-17(9-14(18)19)11-6-10(7-11)16-8-12-4-5-13(22-12)15(20)21-2/h4-5,10-11,16H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).