2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid

C14H20N2O3 — CID 104547663

IUPAC2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1CCNC)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-12(14(18)19)16-13(17)11-7-5-4-6-10(11)8-9-15-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBIEXUGICBHUUMZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.04
Rot. Bonds7

About 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid

2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid (PubChem CID 104547663) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
PubChem CID104547663
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1CCNC)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-12(14(18)19)16-13(17)11-7-5-4-6-10(11)8-9-15-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBIEXUGICBHUUMZ-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(methylamino)ethyl]benzoyl]amino]pent-4-enoic acid
CID 104548190
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104548247
N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790
3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104548206
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
(2R)-2-[(2-pentylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708966
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
(2R)-2-[(2-butylbenzoyl)amino]-3-sulfopropanoic acid
CID 87371235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid (CID 104547663) is 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccccc1CCNC)C(=O)O.
What is the InChIKey of 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid?
The InChIKey is BIEXUGICBHUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-12(14(18)19)16-13(17)11-7-5-4-6-10(11)8-9-15-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid?
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid is sourced from PubChem (CID 104547663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).