2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid

C13H18N2O4 — CID 61244556

IUPAC2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)c1cccc(C(=O)NC(CCO)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-15(2)10-5-3-4-9(8-10)12(17)14-11(6-7-16)13(18)19/h3-5,8,11,16H,6-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyMKNCTBRHLIBMLD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds6

About 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid

2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid (PubChem CID 61244556) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid
PubChem CID61244556
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)c1cccc(C(=O)NC(CCO)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-15(2)10-5-3-4-9(8-10)12(17)14-11(6-7-16)13(18)19/h3-5,8,11,16H,6-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyMKNCTBRHLIBMLD-UHFFFAOYSA-N
XLogP0.32
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
(2S)-4-hydroxy-2-[(3-iodobenzoyl)amino]butanoic acid
CID 107821988
(2S)-4-hydroxy-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 107822185
2-[(3-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242361
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid (CID 61244556) is 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid is CN(C)c1cccc(C(=O)NC(CCO)C(=O)O)c1.
What is the InChIKey of 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is MKNCTBRHLIBMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(2)10-5-3-4-9(8-10)12(17)14-11(6-7-16)13(18)19/h3-5,8,11,16H,6-7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid?
2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).