4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO5 — CID 162170234

IUPAC4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCC(O)CCCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO5/c1-21-10-13(17)3-2-4-14(18)16-9-11-5-7-12(8-6-11)15(19)20/h11-13,17H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyZNRPCQUBCPMQGG-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.17
Rot. Bonds9

About 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 162170234) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID162170234
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCC(O)CCCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO5/c1-21-10-13(17)3-2-4-14(18)16-9-11-5-7-12(8-6-11)15(19)20/h11-13,17H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyZNRPCQUBCPMQGG-UHFFFAOYSA-N
XLogP1.17
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 162170234) is 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid is COCC(O)CCCC(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZNRPCQUBCPMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-21-10-13(17)3-2-4-14(18)16-9-11-5-7-12(8-6-11)15(19)20/h11-13,17H,2-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 301.38 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162170234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).