2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid

C14H18F2N2O3 — CID 10756614

IUPAC2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CCc1ccc(F)cc1F)C(=O)CN
InChIInChI=1S/C14H18F2N2O3/c1-14(2,13(20)21)18(12(19)8-17)6-5-9-3-4-10(15)7-11(9)16/h3-4,7H,5-6,8,17H2,1-2H3,(H,20,21)
InChIKeyPZPSVUYUQHHKSJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.16
Rot. Bonds6

About 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid

2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid (PubChem CID 10756614) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid
PubChem CID10756614
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CCc1ccc(F)cc1F)C(=O)CN
InChIInChI=1S/C14H18F2N2O3/c1-14(2,13(20)21)18(12(19)8-17)6-5-9-3-4-10(15)7-11(9)16/h3-4,7H,5-6,8,17H2,1-2H3,(H,20,21)
InChIKeyPZPSVUYUQHHKSJ-UHFFFAOYSA-N
XLogP1.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
CID 115167494
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838253
tert-butyl-[2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethyl]carbamic acid
CID 87909355
2-[(2,5-difluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62821130

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid (CID 10756614) is 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid is CC(C)(C(=O)O)N(CCc1ccc(F)cc1F)C(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is PZPSVUYUQHHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-14(2,13(20)21)18(12(19)8-17)6-5-9-3-4-10(15)7-11(9)16/h3-4,7H,5-6,8,17H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid?
2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 10756614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).