1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H25NO3 — CID 62119087

IUPAC1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCC(CC)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-3-7-11(4-2)15-12(16)10-14(13(17)18)8-5-6-9-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZMEUHZVONVNHNQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 62119087) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID62119087
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCC(CC)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-3-7-11(4-2)15-12(16)10-14(13(17)18)8-5-6-9-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZMEUHZVONVNHNQ-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396421
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106019145
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106019129
1-[2-(1-cyanobutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62651646
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106344050
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-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 79254012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 62119087) is 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is CCCC(CC)NC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZMEUHZVONVNHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-7-11(4-2)15-12(16)10-14(13(17)18)8-5-6-9-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62119087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).