methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate

C14H21NO4 — CID 64565444

IUPACmethyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(CCO)CCO)c1ccccc1
InChIInChI=1S/C14H21NO4/c1-19-14(18)13(12-5-3-2-4-6-12)11-15(7-9-16)8-10-17/h2-6,13,16-17H,7-11H2,1H3
InChIKeyZNTLXXCFYMDXRL-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.23
Rot. Bonds8

About methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate

methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate (PubChem CID 64565444) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
PubChem CID64565444
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(CCO)CCO)c1ccccc1
InChIInChI=1S/C14H21NO4/c1-19-14(18)13(12-5-3-2-4-6-12)11-15(7-9-16)8-10-17/h2-6,13,16-17H,7-11H2,1H3
InChIKeyZNTLXXCFYMDXRL-UHFFFAOYSA-N
XLogP0.23
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl (2S)-3-(dibenzylamino)-2-(4-fluorophenyl)propanoate
CID 162417339
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
CID 79652279
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271

Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate (CID 64565444) is methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate is COC(=O)C(CN(CCO)CCO)c1ccccc1.
What is the InChIKey of methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate?
The InChIKey is ZNTLXXCFYMDXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-19-14(18)13(12-5-3-2-4-6-12)11-15(7-9-16)8-10-17/h2-6,13,16-17H,7-11H2,1H3.
What are the key properties of methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate?
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 64565444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).