(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid

C17H22N2O5 — CID 97201575

IUPAC(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
SMILESCOc1cc(C)cc(OC)c1[C@H](C(=O)O)N(C)Cc1cc(C)no1
InChIInChI=1S/C17H22N2O5/c1-10-6-13(22-4)15(14(7-10)23-5)16(17(20)21)19(3)9-12-8-11(2)18-24-12/h6-8,16H,9H2,1-5H3,(H,20,21)/t16-/m1/s1
InChIKeySAEDKARZTIPOCW-MRXNPFEDSA-N
MW334.37 g/mol
LogP2.57
Rot. Bonds7

About (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid

(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid (PubChem CID 97201575) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
PubChem CID97201575
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
SMILESCOc1cc(C)cc(OC)c1[C@H](C(=O)O)N(C)Cc1cc(C)no1
InChIInChI=1S/C17H22N2O5/c1-10-6-13(22-4)15(14(7-10)23-5)16(17(20)21)19(3)9-12-8-11(2)18-24-12/h6-8,16H,9H2,1-5H3,(H,20,21)/t16-/m1/s1
InChIKeySAEDKARZTIPOCW-MRXNPFEDSA-N
XLogP2.57
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

(2S)-2-(2,6-dimethoxyphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetic acid
CID 97202360
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064169
(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid
CID 97285710
(2S)-2-(3-chloro-4-methoxyphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetic acid
CID 97190063
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 91833624
2-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-2-(2-methoxy-5-methylphenyl)acetic acid
CID 47000517
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid (CID 97201575) is (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid is COc1cc(C)cc(OC)c1[C@H](C(=O)O)N(C)Cc1cc(C)no1.
What is the InChIKey of (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The InChIKey is SAEDKARZTIPOCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-10-6-13(22-4)15(14(7-10)23-5)16(17(20)21)19(3)9-12-8-11(2)18-24-12/h6-8,16H,9H2,1-5H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 97201575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).