5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid

C16H20N2O4 — CID 22566359

IUPAC5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid
SMILESCC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)9-8-11(14(19)20)17-13-10-6-4-5-7-12(10)22-15(21)18-13/h4-7,11H,8-9H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeySKBCMXHEYKBYOC-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.88
Rot. Bonds5

About 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid

5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid (PubChem CID 22566359) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid
PubChem CID22566359
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid
SMILESCC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)9-8-11(14(19)20)17-13-10-6-4-5-7-12(10)22-15(21)18-13/h4-7,11H,8-9H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeySKBCMXHEYKBYOC-UHFFFAOYSA-N
XLogP2.88
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide
CID 11756570
N-[4-cyano-1-(3,3-dimethylbutyl)piperidin-4-yl]-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide
CID 10390478
(2S)-N-(4-cyano-1-propylpiperidin-4-yl)-5-methyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide
CID 59040970
(2S)-2-(benzhydrylamino)-5,5-dimethylhexanoic acid
CID 167496389
(2R)-3-benzylsulfanyl-N-(4-cyano-1-propylpiperidin-4-yl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide;molecular hydrogen
CID 158416703
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
2-[(2-methoxynaphthalen-1-yl)methylamino]-5,5-dimethylhexanoic acid
CID 175558771
5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
CID 175558784
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21004110
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]pentanedioic acid
CID 21004008
(2S)-2-(isoquinolin-8-ylmethylamino)-5,5-dimethylhexanoic acid
CID 167496542

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid (CID 22566359) is 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid is CC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)O.
What is the InChIKey of 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid?
The InChIKey is SKBCMXHEYKBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)9-8-11(14(19)20)17-13-10-6-4-5-7-12(10)22-15(21)18-13/h4-7,11H,8-9H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid?
5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid has a molecular weight of 304.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 22566359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).