3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

C14H25NO4 — CID 103181327

IUPAC3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCCCOCCNC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H25NO4/c1-18-6-2-7-19-8-5-15-13-11-4-3-10(9-11)12(13)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyNZKOFQMNTCPYGM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.13
Rot. Bonds9

About 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 103181327) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID103181327
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCCCOCCNC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H25NO4/c1-18-6-2-7-19-8-5-15-13-11-4-3-10(9-11)12(13)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyNZKOFQMNTCPYGM-UHFFFAOYSA-N
XLogP1.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 81114598
3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 81101695
3-(4,4,4-trifluorobutylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 115514667
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66674234
3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 113382120
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
3-(pentan-2-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069848
N-cyclopropyl-3-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179172
3-[(2-hydroxy-3-methoxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069892
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 103181327) is 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is COCCCOCCNC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NZKOFQMNTCPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-18-6-2-7-19-8-5-15-13-11-4-3-10(9-11)12(13)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 103181327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).