3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid

C19H23N3O3 — CID 124848013

IUPAC3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid
SMILESCc1cccnc1C[C@@H](C)N(C)CC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C19H23N3O3/c1-13-6-5-9-20-17(13)10-14(2)22(3)12-18(23)21-16-8-4-7-15(11-16)19(24)25/h4-9,11,14H,10,12H2,1-3H3,(H,21,23)(H,24,25)/t14-/m1/s1
InChIKeyMAGJZBXYVTYJOE-CQSZACIVSA-N
MW341.41 g/mol
LogP2.59
Rot. Bonds7

About 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid

3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid (PubChem CID 124848013) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid
PubChem CID124848013
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid
SMILESCc1cccnc1C[C@@H](C)N(C)CC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C19H23N3O3/c1-13-6-5-9-20-17(13)10-14(2)22(3)12-18(23)21-16-8-4-7-15(11-16)19(24)25/h4-9,11,14H,10,12H2,1-3H3,(H,21,23)(H,24,25)/t14-/m1/s1
InChIKeyMAGJZBXYVTYJOE-CQSZACIVSA-N
XLogP2.59
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]acetyl]amino]benzoic acid
CID 124750079
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546
3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
CID 119219576
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
CID 71853615
4-fluoro-2-[[methyl-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]phenol
CID 95210782
N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide
CID 124752606
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid (CID 124848013) is 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid is Cc1cccnc1C[C@@H](C)N(C)CC(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid?
The InChIKey is MAGJZBXYVTYJOE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-6-5-9-20-17(13)10-14(2)22(3)12-18(23)21-16-8-4-7-15(11-16)19(24)25/h4-9,11,14H,10,12H2,1-3H3,(H,21,23)(H,24,25)/t14-/m1/s1.
What are the key properties of 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid?
3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid is sourced from PubChem (CID 124848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).