2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C15H19ClN2O4 — CID 154744038

IUPAC2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H19ClN2O4/c16-13-4-3-12(22-13)15(21)17-10-5-11(6-10)18(8-14(19)20)7-9-1-2-9/h3-4,9-11H,1-2,5-8H2,(H,17,21)(H,19,20)
InChIKeyIQBZZQINCMXYIL-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.99
Rot. Bonds7

About 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 154744038) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID154744038
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H19ClN2O4/c16-13-4-3-12(22-13)15(21)17-10-5-11(6-10)18(8-14(19)20)7-9-1-2-9/h3-4,9-11H,1-2,5-8H2,(H,17,21)(H,19,20)
InChIKeyIQBZZQINCMXYIL-UHFFFAOYSA-N
XLogP1.99
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004809
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544
2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
CID 129008353
2-[[3-[(4-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073782
2-[cyclopropylmethyl-[3-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077967
2-[cyclopropylmethyl-[3-[(2-fluoro-6-methoxybenzoyl)amino]cyclobutyl]amino]acetic acid
CID 129008340
2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128999116
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
CID 106133378
2-[[3-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122085038
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 154744038) is 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is IQBZZQINCMXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c16-13-4-3-12(22-13)15(21)17-10-5-11(6-10)18(8-14(19)20)7-9-1-2-9/h3-4,9-11H,1-2,5-8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 326.78 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 154744038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).