4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid

C13H18N2O4 — CID 107836135

IUPAC4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
SMILESNCCc1ccccc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-7-5-9-3-1-2-4-10(9)12(17)15-8-6-11(16)13(18)19/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)
InChIKeyKYKRYWOKEVTBKK-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.25
Rot. Bonds7

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

4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836135) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
PubChem CID107836135
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
SMILESNCCc1ccccc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-7-5-9-3-1-2-4-10(9)12(17)15-8-6-11(16)13(18)19/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)
InChIKeyKYKRYWOKEVTBKK-UHFFFAOYSA-N
XLogP-0.25
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
(2S)-4-[3-(2-aminophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107836360
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid (CID 107836135) is 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid is NCCc1ccccc1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is KYKRYWOKEVTBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-7-5-9-3-1-2-4-10(9)12(17)15-8-6-11(16)13(18)19/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid?
4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).