methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate

C14H18FNO3 — CID 60779527

IUPACmethyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(F)ccc1C)C(C)C
InChIInChI=1S/C14H18FNO3/c1-9(2)16(8-13(17)19-4)14(18)12-7-11(15)6-5-10(12)3/h5-7,9H,8H2,1-4H3
InChIKeyUIQQIUBDNITYIM-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate

methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate (PubChem CID 60779527) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
PubChem CID60779527
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(F)ccc1C)C(C)C
InChIInChI=1S/C14H18FNO3/c1-9(2)16(8-13(17)19-4)14(18)12-7-11(15)6-5-10(12)3/h5-7,9H,8H2,1-4H3
InChIKeyUIQQIUBDNITYIM-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate
CID 78877927
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
methyl 2-[(2-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetate
CID 61062540
3-[(2-bromo-5-fluorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60832760
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate (CID 60779527) is methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc(F)ccc1C)C(C)C.
What is the InChIKey of methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate?
The InChIKey is UIQQIUBDNITYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)16(8-13(17)19-4)14(18)12-7-11(15)6-5-10(12)3/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate has a molecular weight of 267.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 60779527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).