2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid

C15H19NO3 — CID 107000422

IUPAC2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid
SMILESCC1(C)CC1C(=O)NCCc1ccccc1C(=O)O
InChIInChI=1S/C15H19NO3/c1-15(2)9-12(15)13(17)16-8-7-10-5-3-4-6-11(10)14(18)19/h3-6,12H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGLVMDZOPFEMFT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid

2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid (PubChem CID 107000422) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid
PubChem CID107000422
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid
SMILESCC1(C)CC1C(=O)NCCc1ccccc1C(=O)O
InChIInChI=1S/C15H19NO3/c1-15(2)9-12(15)13(17)16-8-7-10-5-3-4-6-11(10)14(18)19/h3-6,12H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGLVMDZOPFEMFT-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376
2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
CID 79758021
2-[2-(but-2-enoylamino)ethyl]benzoic acid
CID 77022980
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[2-(thiolan-3-ylcarbamoylamino)ethyl]benzoic acid
CID 103063941
2-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]benzoic acid
CID 116678028
2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64676697
2-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294978
2-[3-[4-(butylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 120691836
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid (CID 107000422) is 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid is CC1(C)CC1C(=O)NCCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid?
The InChIKey is HGLVMDZOPFEMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)9-12(15)13(17)16-8-7-10-5-3-4-6-11(10)14(18)19/h3-6,12H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid?
2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 107000422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).