methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate

C24H33NO3 — CID 71099472

IUPACmethyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N(Cc1cc(C)c(C)c(C)c1)Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C24H33NO3/c1-15-8-21(9-16(2)19(15)5)12-25(23(14-26)24(27)28-7)13-22-10-17(3)20(6)18(4)11-22/h8-11,23,26H,12-14H2,1-7H3
InChIKeyVPONKKSSKDCFGO-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.07
Rot. Bonds7

About methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate

methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate (PubChem CID 71099472) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate
PubChem CID71099472
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Namemethyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N(Cc1cc(C)c(C)c(C)c1)Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C24H33NO3/c1-15-8-21(9-16(2)19(15)5)12-25(23(14-26)24(27)28-7)13-22-10-17(3)20(6)18(4)11-22/h8-11,23,26H,12-14H2,1-7H3
InChIKeyVPONKKSSKDCFGO-UHFFFAOYSA-N
XLogP4.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-2-[[3-[2-(2-methyl-3-phenylphenyl)ethyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 150111980
2-[[3-[(E)-2-[3-(3-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 155159650
N,N-Dibenzyl-L-serine methyl ester
CID 16217031
N-(Triphenylmethyl)-L-serine methyl ester
CID 7128367
2-[[3-[(E)-2-[3-(4-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 150299081
3-hydroxy-1-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]piperidine-2-carboxylic acid
CID 138606905
(2R)-3-hydroxy-2-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138632273
(2R)-3-hydroxy-2-[[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138632886
(2S)-3-hydroxy-2-methyl-2-[[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 147007724
3-hydroxy-2-methyl-2-[[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 149701797
(S,E)-4-(4-(2-(2-Cyano-[1,1'-biphenyl]-3-yl)vinyl)-2,5-dimethylbenzyl)morpholine-3-carboxylic acid
CID 168859743
3-(Dibenzylamino)oxetane-3-carboxylic acid
CID 66616918

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate (CID 71099472) is methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)N(Cc1cc(C)c(C)c(C)c1)Cc1cc(C)c(C)c(C)c1.
What is the InChIKey of methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate?
The InChIKey is VPONKKSSKDCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-15-8-21(9-16(2)19(15)5)12-25(23(14-26)24(27)28-7)13-22-10-17(3)20(6)18(4)11-22/h8-11,23,26H,12-14H2,1-7H3.
What are the key properties of methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate?
methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate has a molecular weight of 383.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(3,4,5-trimethylphenyl)methyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 71099472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).