2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid

C14H17NO3 — CID 55233210

IUPAC2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1C(C(=O)O)N(C=O)C1CC1
InChIInChI=1S/C14H17NO3/c1-2-10-5-3-4-6-12(10)13(14(17)18)15(9-16)11-7-8-11/h3-6,9,11,13H,2,7-8H2,1H3,(H,17,18)
InChIKeyYGHOVLVIGUBBJJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.00
Rot. Bonds6

About 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid

2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid (PubChem CID 55233210) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
PubChem CID55233210
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1C(C(=O)O)N(C=O)C1CC1
InChIInChI=1S/C14H17NO3/c1-2-10-5-3-4-6-12(10)13(14(17)18)15(9-16)11-7-8-11/h3-6,9,11,13H,2,7-8H2,1H3,(H,17,18)
InChIKeyYGHOVLVIGUBBJJ-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid (CID 55233210) is 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid is CCc1ccccc1C(C(=O)O)N(C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid?
The InChIKey is YGHOVLVIGUBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-10-5-3-4-6-12(10)13(14(17)18)15(9-16)11-7-8-11/h3-6,9,11,13H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid?
2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid has a molecular weight of 247.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid is sourced from PubChem (CID 55233210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).