5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

C14H25NO4 — CID 64929445

IUPAC5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCC1CCCCC1O
InChIInChI=1S/C14H25NO4/c1-14(2,8-13(18)19)7-12(17)15-9-10-5-3-4-6-11(10)16/h10-11,16H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWYHDJPSUCMGYIX-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.54
Rot. Bonds6

About 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 64929445) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID64929445
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCC1CCCCC1O
InChIInChI=1S/C14H25NO4/c1-14(2,8-13(18)19)7-12(17)15-9-10-5-3-4-6-11(10)16/h10-11,16H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWYHDJPSUCMGYIX-UHFFFAOYSA-N
XLogP1.54
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 64929445) is 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NCC1CCCCC1O.
What is the InChIKey of 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is WYHDJPSUCMGYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,8-13(18)19)7-12(17)15-9-10-5-3-4-6-11(10)16/h10-11,16H,3-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclohexyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 64929445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).