methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate

C13H17FN2O3 — CID 55006210

IUPACmethyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-3-7-16(9-12(17)19-2)13(18)15-11-6-4-5-10(14)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,15,18)
InChIKeyMCHQCVCUDPJWIL-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate

methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate (PubChem CID 55006210) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
PubChem CID55006210
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-3-7-16(9-12(17)19-2)13(18)15-11-6-4-5-10(14)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,15,18)
InChIKeyMCHQCVCUDPJWIL-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
2-[(3-fluorophenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3408117
ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
CID 61008516
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
CID 63233553
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate?
The IUPAC name of methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate (CID 55006210) is methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate is CCCN(CC(=O)OC)C(=O)Nc1cccc(F)c1.
What is the InChIKey of methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate?
The InChIKey is MCHQCVCUDPJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-7-16(9-12(17)19-2)13(18)15-11-6-4-5-10(14)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate?
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate has a molecular weight of 268.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate is sourced from PubChem (CID 55006210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).