1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid

C15H25NO4 — CID 63363742

IUPAC1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)NC1CCCOC1
InChIInChI=1S/C15H25NO4/c17-13(16-12-6-5-9-20-11-12)10-15(14(18)19)7-3-1-2-4-8-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyRFVSVOYAIGPIED-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 63363742) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID63363742
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)NC1CCCOC1
InChIInChI=1S/C15H25NO4/c17-13(16-12-6-5-9-20-11-12)10-15(14(18)19)7-3-1-2-4-8-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyRFVSVOYAIGPIED-UHFFFAOYSA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
2-(1-aminocyclopentyl)-N-(oxolan-3-yl)acetamide
CID 80713240
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60940397
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-(oxan-3-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63361782
5-chloro-N-(oxan-3-yl)pentanamide
CID 63363269
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 63363742) is 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCCC1)NC1CCCOC1.
What is the InChIKey of 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is RFVSVOYAIGPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-13(16-12-6-5-9-20-11-12)10-15(14(18)19)7-3-1-2-4-8-15/h12H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63363742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).