2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid

C15H23NO4 — CID 79788909

IUPAC2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(O)COCc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-15(2,14(18)19)16-9-13(17)11-20-10-12-7-5-4-6-8-12/h4-8,13,16-17H,3,9-11H2,1-2H3,(H,18,19)
InChIKeyFTDYLFPDKJAHSX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.41
Rot. Bonds9

About 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid

2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid (PubChem CID 79788909) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
PubChem CID79788909
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(O)COCc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-15(2,14(18)19)16-9-13(17)11-20-10-12-7-5-4-6-8-12/h4-8,13,16-17H,3,9-11H2,1-2H3,(H,18,19)
InChIKeyFTDYLFPDKJAHSX-UHFFFAOYSA-N
XLogP1.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828812
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
2-tert-butyl-4-hydroxy-5-phenylmethoxypentanoic acid
CID 83139665
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
ethyl (3R,5R)-3,5-dihydroxy-6-phenylmethoxyhexanoate
CID 102254897
CID 172760983
CID 172760983

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid (CID 79788909) is 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid is CCC(C)(NCC(O)COCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid?
The InChIKey is FTDYLFPDKJAHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-15(2,14(18)19)16-9-13(17)11-20-10-12-7-5-4-6-8-12/h4-8,13,16-17H,3,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid?
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).