2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C16H27NO4 — CID 62086765

IUPAC2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOC1CCCC1NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H27NO4/c1-21-13-7-5-6-12(13)17-14(18)10-16(11-15(19)20)8-3-2-4-9-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyJHFPKEOKTHLDMC-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.49
Rot. Bonds6

About 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 62086765) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID62086765
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOC1CCCC1NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H27NO4/c1-21-13-7-5-6-12(13)17-14(18)10-16(11-15(19)20)8-3-2-4-9-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyJHFPKEOKTHLDMC-UHFFFAOYSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62086582
2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide
CID 110125960
2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 82725733
N-(2-methoxycyclopentyl)-3-sulfanylpropanamide
CID 107027892
1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62088973
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
N-(2-methoxycyclopentyl)-2-propan-2-yloxyacetamide
CID 112699101
2-[1-[2-[(1,1-dioxothian-4-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071310
5-amino-N-(2-methoxycyclopentyl)-4-methylpentanamide
CID 82010981
1-amino-N-(2-methoxycyclopentyl)cyclopropane-1-carboxamide
CID 65466235
2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60941962
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 62086765) is 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is COC1CCCC1NC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is JHFPKEOKTHLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-21-13-7-5-6-12(13)17-14(18)10-16(11-15(19)20)8-3-2-4-9-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 62086765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).