methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate

C15H23NO3 — CID 62375494

IUPACmethyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NCC(C)(O)c1ccccc1)C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)13(14(17)19-4)16-10-15(3,18)12-8-6-5-7-9-12/h5-9,11,13,16,18H,10H2,1-4H3
InChIKeyMEGHGGNSZYJQTG-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.68
Rot. Bonds6

About methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate

methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate (PubChem CID 62375494) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
PubChem CID62375494
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NCC(C)(O)c1ccccc1)C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)13(14(17)19-4)16-10-15(3,18)12-8-6-5-7-9-12/h5-9,11,13,16,18H,10H2,1-4H3
InChIKeyMEGHGGNSZYJQTG-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091
methyl (2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutanoate
CID 43386442
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
methyl 3-methyl-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoate
CID 22910332
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
methyl (2R)-2-(1-hydroxy-1-phenylethyl)but-3-enoate
CID 134993343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate (CID 62375494) is methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate is COC(=O)C(NCC(C)(O)c1ccccc1)C(C)C.
What is the InChIKey of methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate?
The InChIKey is MEGHGGNSZYJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)13(14(17)19-4)16-10-15(3,18)12-8-6-5-7-9-12/h5-9,11,13,16,18H,10H2,1-4H3.
What are the key properties of methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate?
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate has a molecular weight of 265.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate is sourced from PubChem (CID 62375494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).