2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid

C19H35NO5 — CID 10291863

IUPAC2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
SMILESCCCCOCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C19H35NO5/c1-3-4-12-25-13-7-11-20-18(23)19(9-5-6-10-19)15-16(17(21)22)8-14-24-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMRXWVMBCDPNBBZ-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.00
Rot. Bonds14

About 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid

2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid (PubChem CID 10291863) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
PubChem CID10291863
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
SMILESCCCCOCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C19H35NO5/c1-3-4-12-25-13-7-11-20-18(23)19(9-5-6-10-19)15-16(17(21)22)8-14-24-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMRXWVMBCDPNBBZ-UHFFFAOYSA-N
XLogP3.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
The IUPAC name of 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid (CID 10291863) is 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid is CCCCOCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1.
What is the InChIKey of 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
The InChIKey is MRXWVMBCDPNBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-3-4-12-25-13-7-11-20-18(23)19(9-5-6-10-19)15-16(17(21)22)8-14-24-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid has a molecular weight of 357.49 g/mol, XLogP of 3.00, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid is sourced from PubChem (CID 10291863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).