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Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate

C19H24Cl2N2O4 — CID 151469580

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O4/c1-11(18(25)27-2)22-19(26)23-17(24)14(9-12-5-3-4-6-12)13-7-8-15(20)16(21)10-13/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,22,23,24,26)
InChIKeyPKEIDLXQYCGHFB-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.04
Rot. Bonds6

About Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate

Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate (PubChem CID 151469580) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate.

Molecular Properties

Compound NameMethyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
PubChem CID151469580
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Namemethyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O4/c1-11(18(25)27-2)22-19(26)23-17(24)14(9-12-5-3-4-6-12)13-7-8-15(20)16(21)10-13/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,22,23,24,26)
InChIKeyPKEIDLXQYCGHFB-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
The IUPAC name of Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate (CID 151469580) is methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate.
What is the SMILES notation for Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
The canonical SMILES for Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate is COC(=O)C(C)NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
The InChIKey is PKEIDLXQYCGHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O4/c1-11(18(25)27-2)22-19(26)23-17(24)14(9-12-5-3-4-6-12)13-7-8-15(20)16(21)10-13/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,22,23,24,26).
What are the key properties of Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate has a molecular weight of 415.32 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate is sourced from PubChem (CID 151469580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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