methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate

C15H24N2O6 — CID 75390738

IUPACmethyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCCC1C(=O)NCCC(=O)OC
InChIInChI=1S/C15H24N2O6/c1-22-12(18)6-8-16-14(20)10-4-3-5-11(10)15(21)17-9-7-13(19)23-2/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyYBLBKYQZYVULQX-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.24
Rot. Bonds8

About methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate

methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate (PubChem CID 75390738) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate
PubChem CID75390738
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Namemethyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCCC1C(=O)NCCC(=O)OC
InChIInChI=1S/C15H24N2O6/c1-22-12(18)6-8-16-14(20)10-4-3-5-11(10)15(21)17-9-7-13(19)23-2/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyYBLBKYQZYVULQX-UHFFFAOYSA-N
XLogP-0.24
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate with MolForge

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Related Compounds

Methyl 3-[3-(cyclopentylformamido)butanamido]butanoate
CID 56823981
beta-Alanine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 61807198
beta-Alanine, N-(3-cyclopentylpropionyl)-, propyl ester
CID 91726233
beta-Alanine, N-(3-cyclopentylpropionyl)-, butyl ester
CID 91730067
Methyl 3-[[2-(aminomethyl)cyclopentanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 65895728
Methyl 3-(3-cyclopentylpropanamido)propanoate
CID 51072612
1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide
CID 20752259
Ethyl 3-(cyclopentanecarbonylamino)propanoate
CID 58089891
trans-(1R,2R)-1-N,2-N-dihexylcyclopentane-1,2-dicarboxamide
CID 157786580
trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide
CID 158492007
Methyl 3-(cyclohexylformamido)propanoate
CID 51072611
Methyl 4-[(2-cyclopentylacetyl)amino]butanoate
CID 51072819

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate (CID 75390738) is methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate is COC(=O)CCNC(=O)C1CCCC1C(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate?
The InChIKey is YBLBKYQZYVULQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-22-12(18)6-8-16-14(20)10-4-3-5-11(10)15(21)17-9-7-13(19)23-2/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate?
methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate has a molecular weight of 328.37 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate is sourced from PubChem (CID 75390738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).