1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid

C15H27NO4 — CID 106448884

IUPAC1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid
SMILESCC(C)COCCOC1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-11(2)10-19-7-8-20-13-5-6-15(9-13,14(17)18)16-12-3-4-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyLNTHJMHFSQKOLQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.80
Rot. Bonds9

About 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid (PubChem CID 106448884) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid
PubChem CID106448884
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid
SMILESCC(C)COCCOC1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-11(2)10-19-7-8-20-13-5-6-15(9-13,14(17)18)16-12-3-4-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyLNTHJMHFSQKOLQ-UHFFFAOYSA-N
XLogP1.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.80
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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Related Compounds

1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxamide
CID 106448862
1-(cyclopropylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79649443
3-(2-methoxyethoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648903
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid (CID 106448884) is 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid is CC(C)COCCOC1CCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid?
The InChIKey is LNTHJMHFSQKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)10-19-7-8-20-13-5-6-15(9-13,14(17)18)16-12-3-4-12/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106448884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).