1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid

C14H25NO5 — CID 120539104

IUPAC1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
SMILESCOCCOCCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25NO5/c1-19-10-11-20-9-6-12(16)15-14(13(17)18)7-4-2-3-5-8-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyOKPWWSBMIFHMOO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.33
Rot. Bonds8

About 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid

1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid (PubChem CID 120539104) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
PubChem CID120539104
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
SMILESCOCCOCCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25NO5/c1-19-10-11-20-9-6-12(16)15-14(13(17)18)7-4-2-3-5-8-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyOKPWWSBMIFHMOO-UHFFFAOYSA-N
XLogP1.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.33
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-[3-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 115910125
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 103627584
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid (CID 120539104) is 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid is COCCOCCC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is OKPWWSBMIFHMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-19-10-11-20-9-6-12(16)15-14(13(17)18)7-4-2-3-5-8-14/h2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid?
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120539104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).