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

C18H23NO5 — CID 108793168

IUPAC2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)O
InChIInChI=1S/C18H23NO5/c1-10(2)7-13(17(22)23)19-16(21)11-5-6-15-12(8-11)14(20)9-18(3,4)24-15/h5-6,8,10,13H,7,9H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyCNZRWGSJHSKKPD-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.66
Rot. Bonds5

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

2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 108793168) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid
PubChem CID108793168
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)O
InChIInChI=1S/C18H23NO5/c1-10(2)7-13(17(22)23)19-16(21)11-5-6-15-12(8-11)14(20)9-18(3,4)24-15/h5-6,8,10,13H,7,9H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyCNZRWGSJHSKKPD-UHFFFAOYSA-N
XLogP2.66
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
CID 108793250
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 108793252
4-[[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]methyl]benzoic acid
CID 108793216
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid (CID 108793168) is 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is CNZRWGSJHSKKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-10(2)7-13(17(22)23)19-16(21)11-5-6-15-12(8-11)14(20)9-18(3,4)24-15/h5-6,8,10,13H,7,9H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid?
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 333.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 108793168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).