5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid

C17H20N2O6 — CID 108793250

IUPAC5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)NC(CCC(N)=O)C(=O)O)ccc2O1
InChIInChI=1S/C17H20N2O6/c1-17(2)8-12(20)10-7-9(3-5-13(10)25-17)15(22)19-11(16(23)24)4-6-14(18)21/h3,5,7,11H,4,6,8H2,1-2H3,(H2,18,21)(H,19,22)(H,23,24)
InChIKeySFBGLAQGJGYADD-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.88
Rot. Bonds6

About 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 108793250) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
PubChem CID108793250
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)NC(CCC(N)=O)C(=O)O)ccc2O1
InChIInChI=1S/C17H20N2O6/c1-17(2)8-12(20)10-7-9(3-5-13(10)25-17)15(22)19-11(16(23)24)4-6-14(18)21/h3,5,7,11H,4,6,8H2,1-2H3,(H2,18,21)(H,19,22)(H,23,24)
InChIKeySFBGLAQGJGYADD-UHFFFAOYSA-N
XLogP0.88
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 108805124
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108793248
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid
CID 108793168
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 108793252
5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoic acid
CID 43175930
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
CID 43358654
4-[[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]methyl]benzoic acid
CID 108793216
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805183
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid (CID 108793250) is 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid is CC1(C)CC(=O)c2cc(C(=O)NC(CCC(N)=O)C(=O)O)ccc2O1.
What is the InChIKey of 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is SFBGLAQGJGYADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-17(2)8-12(20)10-7-9(3-5-13(10)25-17)15(22)19-11(16(23)24)4-6-14(18)21/h3,5,7,11H,4,6,8H2,1-2H3,(H2,18,21)(H,19,22)(H,23,24).
What are the key properties of 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 348.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 108793250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).