(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid

C19H24N2O4 — CID 97285710

IUPAC(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid
SMILESCOc1cc(C)cc([C@H](C(=O)O)N(C)Cc2ccncc2C)c1OC
InChIInChI=1S/C19H24N2O4/c1-12-8-15(18(25-5)16(9-12)24-4)17(19(22)23)21(3)11-14-6-7-20-10-13(14)2/h6-10,17H,11H2,1-5H3,(H,22,23)/t17-/m1/s1
InChIKeyDDKDFFXJQIIHTP-QGZVFWFLSA-N
MW344.41 g/mol
LogP2.97
Rot. Bonds7

About (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid

(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid (PubChem CID 97285710) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid
PubChem CID97285710
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid
SMILESCOc1cc(C)cc([C@H](C(=O)O)N(C)Cc2ccncc2C)c1OC
InChIInChI=1S/C19H24N2O4/c1-12-8-15(18(25-5)16(9-12)24-4)17(19(22)23)21(3)11-14-6-7-20-10-13(14)2/h6-10,17H,11H2,1-5H3,(H,22,23)/t17-/m1/s1
InChIKeyDDKDFFXJQIIHTP-QGZVFWFLSA-N
XLogP2.97
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid
CID 72919496
2-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-2-(2-methoxy-5-methylphenyl)acetic acid
CID 47000517
(2S)-2-(2,4-dimethoxyphenyl)-2-[methyl(quinolin-4-ylmethyl)amino]acetic acid
CID 97197685
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid
CID 97268824
(2R)-2-(2,6-dimethoxy-4-methylphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 97201575
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid
CID 116857475
methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55277902
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 50962032
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid (CID 97285710) is (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid is COc1cc(C)cc([C@H](C(=O)O)N(C)Cc2ccncc2C)c1OC.
What is the InChIKey of (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid?
The InChIKey is DDKDFFXJQIIHTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-8-15(18(25-5)16(9-12)24-4)17(19(22)23)21(3)11-14-6-7-20-10-13(14)2/h6-10,17H,11H2,1-5H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid?
(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-[methyl-[(3-methyl-4-pyridinyl)methyl]amino]acetic acid is sourced from PubChem (CID 97285710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).