4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid

C16H24N2O3 — CID 119357228

IUPAC4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
SMILESCN(C)Cc1cccc(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,9-8-14(19)20)17-15(21)13-7-5-6-12(10-13)11-18(3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyJIJUVZLXVFRXRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.12
Rot. Bonds7

About 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid

4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119357228) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
PubChem CID119357228
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
SMILESCN(C)Cc1cccc(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,9-8-14(19)20)17-15(21)13-7-5-6-12(10-13)11-18(3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyJIJUVZLXVFRXRI-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[[benzyl(methyl)amino]methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357272
4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119204515
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119357561
4-methyl-4-[(3-nitrobenzoyl)amino]pentanoic acid
CID 62043921
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide
CID 71849704
3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid
CID 74241550

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid (CID 119357228) is 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid is CN(C)Cc1cccc(C(=O)NC(C)(C)CCC(=O)O)c1.
What is the InChIKey of 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is JIJUVZLXVFRXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,9-8-14(19)20)17-15(21)13-7-5-6-12(10-13)11-18(3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid?
4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).