1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid

C15H27NO3 — CID 43529498

IUPAC1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
SMILESCCCCCNC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-8-11-16-13(17)12-15(14(18)19)9-6-4-5-7-10-15/h2-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyFKOPDNZEMOSAKK-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds7

About 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid

1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid (PubChem CID 43529498) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
PubChem CID43529498
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
SMILESCCCCCNC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-8-11-16-13(17)12-15(14(18)19)9-6-4-5-7-10-15/h2-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyFKOPDNZEMOSAKK-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-(6-hydroxyhexylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107846493
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54906188
1-[2-(3-cyanopropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62667350
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid (CID 43529498) is 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid is CCCCCNC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid?
The InChIKey is FKOPDNZEMOSAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-8-11-16-13(17)12-15(14(18)19)9-6-4-5-7-10-15/h2-12H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid?
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43529498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).