2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid

C16H27NO4 — CID 65108169

IUPAC2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC2(O)CCCC2)CCCCC1
InChIInChI=1S/C16H27NO4/c18-13(17-12-16(21)8-4-5-9-16)10-15(11-14(19)20)6-2-1-3-7-15/h21H,1-12H2,(H,17,18)(H,19,20)
InChIKeySMOVNOGYKSXNJV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.22
Rot. Bonds6

About 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 65108169) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID65108169
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC2(O)CCCC2)CCCCC1
InChIInChI=1S/C16H27NO4/c18-13(17-12-16(21)8-4-5-9-16)10-15(11-14(19)20)6-2-1-3-7-15/h21H,1-12H2,(H,17,18)(H,19,20)
InChIKeySMOVNOGYKSXNJV-UHFFFAOYSA-N
XLogP2.22
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108325
2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid
CID 65123303
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 63297334
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 104678478
N-[(1-ethylcyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111969896

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid (CID 65108169) is 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCC2(O)CCCC2)CCCCC1.
What is the InChIKey of 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is SMOVNOGYKSXNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c18-13(17-12-16(21)8-4-5-9-16)10-15(11-14(19)20)6-2-1-3-7-15/h21H,1-12H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 65108169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).