(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid

C16H19N3O3 — CID 166253792

IUPAC(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid
SMILESCN(C)c1ccc(CN[C@@H](C(=O)O)c2ccc(O)cc2)cn1
InChIInChI=1S/C16H19N3O3/c1-19(2)14-8-3-11(9-17-14)10-18-15(16(21)22)12-4-6-13(20)7-5-12/h3-9,15,18,20H,10H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyORRPTRVRCOAICO-OAHLLOKOSA-N
MW301.35 g/mol
LogP1.77
Rot. Bonds6

About (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid

(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 166253792) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid
PubChem CID166253792
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid
SMILESCN(C)c1ccc(CN[C@@H](C(=O)O)c2ccc(O)cc2)cn1
InChIInChI=1S/C16H19N3O3/c1-19(2)14-8-3-11(9-17-14)10-18-15(16(21)22)12-4-6-13(20)7-5-12/h3-9,15,18,20H,10H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyORRPTRVRCOAICO-OAHLLOKOSA-N
XLogP1.77
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(3-methylphenyl)acetic acid
CID 167884017
2-(2,5-difluorophenyl)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]acetic acid
CID 167776127
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850304
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428
(2R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 94750528
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
6-(dimethylamino)pyridin-3-ol
CID 11715188
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
CID 122037106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid (CID 166253792) is (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid is CN(C)c1ccc(CN[C@@H](C(=O)O)c2ccc(O)cc2)cn1.
What is the InChIKey of (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is ORRPTRVRCOAICO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19(2)14-8-3-11(9-17-14)10-18-15(16(21)22)12-4-6-13(20)7-5-12/h3-9,15,18,20H,10H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid?
(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 301.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 166253792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).