methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

C15H21FN2O4 — CID 3679334

IUPACmethyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCOC(=O)C(COC(C)(C)C)NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O4/c1-15(2,3)22-9-12(13(19)21-4)18-14(20)17-11-7-5-6-10(16)8-11/h5-8,12H,9H2,1-4H3,(H2,17,18,20)
InChIKeyKDZZJDBSRWEIPW-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.30
Rot. Bonds5

About methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 3679334) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID3679334
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCOC(=O)C(COC(C)(C)C)NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O4/c1-15(2,3)22-9-12(13(19)21-4)18-14(20)17-11-7-5-6-10(16)8-11/h5-8,12H,9H2,1-4H3,(H2,17,18,20)
InChIKeyKDZZJDBSRWEIPW-UHFFFAOYSA-N
XLogP2.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
methyl 2-[(2,6-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3701206
tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3766020
ethyl (2S,3S)-3-[(3-fluorophenyl)carbamoylamino]-2-methylbutanoate
CID 99783914
methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3773328
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
2-[(3-fluorophenyl)carbamoylamino]-4-methylsulfonylbutanoic acid
CID 61028864
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862695
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
1-(1-cyanopropyl)-3-(3-fluorophenyl)urea
CID 61124603
[2-(3-fluoroanilino)-2-oxoethyl]-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8846903
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 3679334) is methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is COC(=O)C(COC(C)(C)C)NC(=O)Nc1cccc(F)c1.
What is the InChIKey of methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is KDZZJDBSRWEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-15(2,3)22-9-12(13(19)21-4)18-14(20)17-11-7-5-6-10(16)8-11/h5-8,12H,9H2,1-4H3,(H2,17,18,20).
What are the key properties of methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 312.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 3679334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).