4-(1-adamantylamino)-5-oxohexanoic acid

C16H25NO3 — CID 56985217

IUPAC4-(1-adamantylamino)-5-oxohexanoic acid
SMILESCC(=O)C(CCC(=O)O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c1-10(18)14(2-3-15(19)20)17-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,17H,2-9H2,1H3,(H,19,20)
InChIKeyURTAONIGPIWIRK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds6

About 4-(1-adamantylamino)-5-oxohexanoic acid

4-(1-adamantylamino)-5-oxohexanoic acid (PubChem CID 56985217) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(1-adamantylamino)-5-oxohexanoic acid.

Molecular Properties

Compound Name4-(1-adamantylamino)-5-oxohexanoic acid
PubChem CID56985217
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-(1-adamantylamino)-5-oxohexanoic acid
SMILESCC(=O)C(CCC(=O)O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c1-10(18)14(2-3-15(19)20)17-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,17H,2-9H2,1H3,(H,19,20)
InChIKeyURTAONIGPIWIRK-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid
CID 75257795
4-hydrazinyl-5-oxohexanoic acid
CID 88944319
(2R)-2-(1-adamantylamino)propanamide
CID 9358538
4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
CID 2941690
(2R)-2-(1-adamantylamino)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
CID 69435866
4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid
CID 2755415
(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
CID 107564760
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
3-(1-adamantylamino)-2-aminopropanoic acid
CID 103231283
3-acetyl-1-(1-adamantyl)pentane-1,4-dione
CID 15890051
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylamino)-5-oxohexanoic acid?
The IUPAC name of 4-(1-adamantylamino)-5-oxohexanoic acid (CID 56985217) is 4-(1-adamantylamino)-5-oxohexanoic acid.
What is the SMILES notation for 4-(1-adamantylamino)-5-oxohexanoic acid?
The canonical SMILES for 4-(1-adamantylamino)-5-oxohexanoic acid is CC(=O)C(CCC(=O)O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantylamino)-5-oxohexanoic acid?
The InChIKey is URTAONIGPIWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10(18)14(2-3-15(19)20)17-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,17H,2-9H2,1H3,(H,19,20).
What are the key properties of 4-(1-adamantylamino)-5-oxohexanoic acid?
4-(1-adamantylamino)-5-oxohexanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylamino)-5-oxohexanoic acid is sourced from PubChem (CID 56985217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).