3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid

C15H23NO3 — CID 119146511

IUPAC3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
SMILESCC(C)C(CO)N(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(2)14(11-17)16(9-8-15(18)19)10-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,19)
InChIKeySGXBUKHPOIOUER-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds8

About 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid

3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid (PubChem CID 119146511) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
PubChem CID119146511
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
SMILESCC(C)C(CO)N(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(2)14(11-17)16(9-8-15(18)19)10-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,19)
InChIKeySGXBUKHPOIOUER-UHFFFAOYSA-N
XLogP1.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
CID 111462145
3-[benzyl(octyl)amino]-4-methylpentanoic acid
CID 23067239
methyl N-[(2S)-2-(dibenzylamino)-3-methylbutyl]carbamate
CID 15781131
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
2-[benzyl(2-carboxyethyl)amino]-4-oxobutanoic acid
CID 23170457
3-(N-benzyl-4-propan-2-ylanilino)propanoic acid
CID 82317290
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
CID 111432016
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
CID 111462156
azane;3-(dibenzylamino)propanoic acid
CID 162310692

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid (CID 119146511) is 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid is CC(C)C(CO)N(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid?
The InChIKey is SGXBUKHPOIOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)14(11-17)16(9-8-15(18)19)10-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid?
3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 119146511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).