2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid

C14H20N2O3 — CID 79797957

IUPAC2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccccc1CCN)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-14(2,13(18)19)16-12(17)11-7-5-4-6-10(11)8-9-15/h4-7H,3,8-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXVLPDEGEUHEWAV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds6

About 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid

2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid (PubChem CID 79797957) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
PubChem CID79797957
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccccc1CCN)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-14(2,13(18)19)16-12(17)11-7-5-4-6-10(11)8-9-15/h4-7H,3,8-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXVLPDEGEUHEWAV-UHFFFAOYSA-N
XLogP1.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
2-(2-aminoethyl)-N-propylsulfonylbenzamide
CID 103307395
2-[(2,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 79793272
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid (CID 79797957) is 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccccc1CCN)C(=O)O.
What is the InChIKey of 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid?
The InChIKey is XVLPDEGEUHEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-14(2,13(18)19)16-12(17)11-7-5-4-6-10(11)8-9-15/h4-7H,3,8-9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid?
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79797957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).