2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid

C15H21FN2O3 — CID 79263728

IUPAC2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)18(10-13(19)20)14(21)17-9-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOSBRKKPRIFGJEK-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.26
Rot. Bonds5

About 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid

2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid (PubChem CID 79263728) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
PubChem CID79263728
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)18(10-13(19)20)14(21)17-9-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOSBRKKPRIFGJEK-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 63645252
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
CID 79257084
2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
CID 79264465
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957212
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid (CID 79263728) is 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is OSBRKKPRIFGJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)18(10-13(19)20)14(21)17-9-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 296.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).