2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid

C15H21NO4 — CID 10588743

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(11-13(17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,18)
InChIKeyZRHNALVSXAVNMX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid (PubChem CID 10588743) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid
PubChem CID10588743
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(11-13(17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,18)
InChIKeyZRHNALVSXAVNMX-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid (CID 10588743) is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid is CC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid?
The InChIKey is ZRHNALVSXAVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(11-13(17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 10588743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).