methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate

C18H23N3O5 — CID 125137261

IUPACmethyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C18H23N3O5/c1-25-17(23)11-26-15-6-2-13(3-7-15)20-18(24)19-9-12-8-16(22)21(10-12)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H2,19,20,24)/t12-/m0/s1
InChIKeyPDWIOGANVBLBCH-LBPRGKRZSA-N
MW361.40 g/mol
LogP1.37
Rot. Bonds7

About methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate

methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate (PubChem CID 125137261) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
PubChem CID125137261
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Namemethyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C18H23N3O5/c1-25-17(23)11-26-15-6-2-13(3-7-15)20-18(24)19-9-12-8-16(22)21(10-12)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H2,19,20,24)/t12-/m0/s1
InChIKeyPDWIOGANVBLBCH-LBPRGKRZSA-N
XLogP1.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137260
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate
CID 49288381
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 40913019
1-(4-ethoxyphenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920085
1-(3,4-dimethoxyphenyl)-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920030
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 118775141

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate (CID 125137261) is methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate?
The InChIKey is PDWIOGANVBLBCH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-25-17(23)11-26-15-6-2-13(3-7-15)20-18(24)19-9-12-8-16(22)21(10-12)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H2,19,20,24)/t12-/m0/s1.
What are the key properties of methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate?
methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate has a molecular weight of 361.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate is sourced from PubChem (CID 125137261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).