5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid

C15H27N3O3 — CID 82846094

IUPAC5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H27N3O3/c1-11(4-3-5-14(19)20)16-15(21)18-9-8-12-6-7-13(10-18)17(12)2/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyXPDVPZGCPVTJFL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds5

About 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid

5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid (PubChem CID 82846094) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
PubChem CID82846094
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H27N3O3/c1-11(4-3-5-14(19)20)16-15(21)18-9-8-12-6-7-13(10-18)17(12)2/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyXPDVPZGCPVTJFL-UHFFFAOYSA-N
XLogP1.51
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82847997
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82848014
N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75423432
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868197
5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114460562
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708

Frequently Asked Questions

What is the IUPAC name of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid (CID 82846094) is 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid?
The InChIKey is XPDVPZGCPVTJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(4-3-5-14(19)20)16-15(21)18-9-8-12-6-7-13(10-18)17(12)2/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid?
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82846094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).