1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid

C14H15F2NO4 — CID 81369254

IUPAC1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H15F2NO4/c15-13(16)21-10-4-1-3-9(7-10)11(18)17-8-14(12(19)20)5-2-6-14/h1,3-4,7,13H,2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyYGQJPRPSUKCWIC-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.27
Rot. Bonds6

About 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81369254) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81369254
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H15F2NO4/c15-13(16)21-10-4-1-3-9(7-10)11(18)17-8-14(12(19)20)5-2-6-14/h1,3-4,7,13H,2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyYGQJPRPSUKCWIC-UHFFFAOYSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
CID 119185603
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421
N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
CID 114383418
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 81369254) is 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is YGQJPRPSUKCWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-13(16)21-10-4-1-3-9(7-10)11(18)17-8-14(12(19)20)5-2-6-14/h1,3-4,7,13H,2,5-6,8H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81369254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).