1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid

C11H14N2O4 — CID 81161794

IUPAC1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESNCc1ccc(C(=O)NC2(C(=O)O)CCC2)o1
InChIInChI=1S/C11H14N2O4/c12-6-7-2-3-8(17-7)9(14)13-11(10(15)16)4-1-5-11/h2-3H,1,4-6,12H2,(H,13,14)(H,15,16)
InChIKeyGBUFAZFTIHTMLE-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.48
Rot. Bonds4

About 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81161794) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81161794
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESNCc1ccc(C(=O)NC2(C(=O)O)CCC2)o1
InChIInChI=1S/C11H14N2O4/c12-6-7-2-3-8(17-7)9(14)13-11(10(15)16)4-1-5-11/h2-3H,1,4-6,12H2,(H,13,14)(H,15,16)
InChIKeyGBUFAZFTIHTMLE-UHFFFAOYSA-N
XLogP0.48
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176623
5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 115360097
1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290910
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
N-[1-(hydroxymethyl)cyclobutyl]-5-methylfuran-2-carboxamide
CID 115877897
5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
CID 69452250
1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158869
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 81161794) is 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid is NCc1ccc(C(=O)NC2(C(=O)O)CCC2)o1.
What is the InChIKey of 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is GBUFAZFTIHTMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-6-7-2-3-8(17-7)9(14)13-11(10(15)16)4-1-5-11/h2-3H,1,4-6,12H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81161794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).