propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate

C13H19NO3 — CID 107230734

IUPACpropan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate
SMILESCC(C)OC(=O)CNCc1cccc(CO)c1
InChIInChI=1S/C13H19NO3/c1-10(2)17-13(16)8-14-7-11-4-3-5-12(6-11)9-15/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyKFELASAYQACAPW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds6

About propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate

propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate (PubChem CID 107230734) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate
PubChem CID107230734
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namepropan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate
SMILESCC(C)OC(=O)CNCc1cccc(CO)c1
InChIInChI=1S/C13H19NO3/c1-10(2)17-13(16)8-14-7-11-4-3-5-12(6-11)9-15/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyKFELASAYQACAPW-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107230736
propan-2-yl 2-(1,3-benzodioxol-5-ylmethylamino)acetate
CID 62906802
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
CID 107230401
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406
1-(azepan-1-yl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanone
CID 107230604
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
CID 107230378
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612
ethyl 2-[(3-aminophenyl)methylamino]acetate
CID 22569795

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate?
The IUPAC name of propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate (CID 107230734) is propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate is CC(C)OC(=O)CNCc1cccc(CO)c1.
What is the InChIKey of propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate?
The InChIKey is KFELASAYQACAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)17-13(16)8-14-7-11-4-3-5-12(6-11)9-15/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate?
propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate is sourced from PubChem (CID 107230734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).