1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid

C11H13NO4 — CID 81158869

IUPAC1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccoc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13NO4/c1-7-3-6-16-8(7)9(13)12-11(10(14)15)4-2-5-11/h3,6H,2,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPFRVWEFDPRTEEK-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.33
Rot. Bonds3

About 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158869) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158869
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccoc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13NO4/c1-7-3-6-16-8(7)9(13)12-11(10(14)15)4-2-5-11/h3,6H,2,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPFRVWEFDPRTEEK-UHFFFAOYSA-N
XLogP1.33
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-3-methylfuran-2-carboxamide
CID 115764587
1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106850899
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
1-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176798
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 66335098
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351135
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
CID 35781226
1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164307
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81158869) is 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1ccoc1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is PFRVWEFDPRTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-3-6-16-8(7)9(13)12-11(10(14)15)4-2-5-11/h3,6H,2,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).