methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate

C17H19NO3 — CID 43723711

IUPACmethyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-12(17(20)21-2)18-16(13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-12,16,18-19H,1-2H3/t12-,16?/m0/s1
InChIKeyNMPNPCDSXUYNEG-HKALDPMFSA-N
MW285.34 g/mol
LogP2.63
Rot. Bonds5

About methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate

methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate (PubChem CID 43723711) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
PubChem CID43723711
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-12(17(20)21-2)18-16(13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-12,16,18-19H,1-2H3/t12-,16?/m0/s1
InChIKeyNMPNPCDSXUYNEG-HKALDPMFSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(S)-2-dibenzylamino-3-(4-hydroxyphenyl)propionic acid methyl ester
CID 57201591
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Glycine, N,N'-ethylenebis(2-(o-hydroxyphenyl)-, dimethyl ester
CID 56033
4-[[[(3S,6S)-6-benzyloxan-3-yl]amino]methyl]phenol
CID 73057689
methyl (2S)-2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 137646640
2,6-Bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
CID 2842454
(S)-3-(4-Hydroxy-phenyl)-2-phenylacetylamino-propionic acid ethyl ester
CID 11001953
N-Benzyl-L-tyrosine
CID 24209771

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate (CID 43723711) is methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate is COC(=O)[C@H](C)NC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate?
The InChIKey is NMPNPCDSXUYNEG-HKALDPMFSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(20)21-2)18-16(13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-12,16,18-19H,1-2H3/t12-,16?/m0/s1.
What are the key properties of methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate?
methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate has a molecular weight of 285.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate is sourced from PubChem (CID 43723711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).