methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate

C14H20FNO3 — CID 113453832

IUPACmethyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1cccc(OC)c1F)C(C)C
InChIInChI=1S/C14H20FNO3/c1-10(2)16(9-13(17)19-4)8-11-6-5-7-12(18-3)14(11)15/h5-7,10H,8-9H2,1-4H3
InChIKeyUSNNPSKXMJASKG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate

methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate (PubChem CID 113453832) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
PubChem CID113453832
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1cccc(OC)c1F)C(C)C
InChIInChI=1S/C14H20FNO3/c1-10(2)16(9-13(17)19-4)8-11-6-5-7-12(18-3)14(11)15/h5-7,10H,8-9H2,1-4H3
InChIKeyUSNNPSKXMJASKG-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
4-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]butanoic acid
CID 104792716
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
4-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-one
CID 116612356
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
4-(2-fluoro-3-methoxyphenyl)-3-methylbutanoic acid
CID 104795667
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
4-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 113453649
3-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60838993
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate (CID 113453832) is methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate is COC(=O)CN(Cc1cccc(OC)c1F)C(C)C.
What is the InChIKey of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate?
The InChIKey is USNNPSKXMJASKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(2)16(9-13(17)19-4)8-11-6-5-7-12(18-3)14(11)15/h5-7,10H,8-9H2,1-4H3.
What are the key properties of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate?
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate has a molecular weight of 269.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 113453832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).