2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid

C14H17NO3 — CID 119351811

IUPAC2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
SMILESCCC1(C(=O)Nc2cccc(CC(=O)O)c2)CC1
InChIInChI=1S/C14H17NO3/c1-2-14(6-7-14)13(18)15-11-5-3-4-10(8-11)9-12(16)17/h3-5,8H,2,6-7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyZPJCBXWXHLYMJV-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.44
Rot. Bonds5

About 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid

2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid (PubChem CID 119351811) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
PubChem CID119351811
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
SMILESCCC1(C(=O)Nc2cccc(CC(=O)O)c2)CC1
InChIInChI=1S/C14H17NO3/c1-2-14(6-7-14)13(18)15-11-5-3-4-10(8-11)9-12(16)17/h3-5,8H,2,6-7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyZPJCBXWXHLYMJV-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
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CID 106980832
2-[3-(methoxycarbonylamino)phenyl]acetic acid
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2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
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CID 65345952

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid (CID 119351811) is 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid is CCC1(C(=O)Nc2cccc(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is ZPJCBXWXHLYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-14(6-7-14)13(18)15-11-5-3-4-10(8-11)9-12(16)17/h3-5,8H,2,6-7,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid?
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119351811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).