1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C16H27NO4 — CID 62086582

IUPAC1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H27NO4/c1-21-13-8-6-7-12(13)17-14(18)11-16(15(19)20)9-4-2-3-5-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyYLRNATMCALGBKY-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 62086582) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID62086582
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H27NO4/c1-21-13-8-6-7-12(13)17-14(18)11-16(15(19)20)9-4-2-3-5-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyYLRNATMCALGBKY-UHFFFAOYSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 62086582) is 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is COC1CCCC1NC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is YLRNATMCALGBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-21-13-8-6-7-12(13)17-14(18)11-16(15(19)20)9-4-2-3-5-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 62086582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).