2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid

C15H20N2O5 — CID 18323076

IUPAC2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)CC(N)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-12(18)8-10(16)13(19)17-11-7-5-4-6-9(11)14(20)21/h4-7,10H,8,16H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyIFVSCRROIAAHDD-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.38
Rot. Bonds5

About 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid

2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid (PubChem CID 18323076) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid
PubChem CID18323076
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)CC(N)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-12(18)8-10(16)13(19)17-11-7-5-4-6-9(11)14(20)21/h4-7,10H,8,16H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyIFVSCRROIAAHDD-UHFFFAOYSA-N
XLogP1.38
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid with MolForge

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Related Compounds

tert-butyl (3S)-3-amino-4-anilino-4-oxobutanoate
CID 54337711
2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61157183
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]amino]benzoic acid
CID 130431957
tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate
CID 167312578
tert-butyl 3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 14514034
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoic acid
CID 123748568
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 67042611
2-[[(2R)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 61157364
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-[[(2S)-2-chloro-4-methylpentanoyl]amino]benzoic acid
CID 139246752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid (CID 18323076) is 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid is CC(C)(C)OC(=O)CC(N)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid?
The InChIKey is IFVSCRROIAAHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)22-12(18)8-10(16)13(19)17-11-7-5-4-6-9(11)14(20)21/h4-7,10H,8,16H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid?
2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]benzoic acid is sourced from PubChem (CID 18323076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).