2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid

C12H21N3O3 — CID 79170563

IUPAC2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C12H21N3O3/c1-13(8-11(16)17)12(18)15-6-5-9-3-4-10(7-15)14(9)2/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyGYOWKKMYBHXNRW-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.29
Rot. Bonds2

About 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid

2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid (PubChem CID 79170563) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid
PubChem CID79170563
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C12H21N3O3/c1-13(8-11(16)17)12(18)15-6-5-9-3-4-10(7-15)14(9)2/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyGYOWKKMYBHXNRW-UHFFFAOYSA-N
XLogP0.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
3-chloro-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79174324
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116683450
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid (CID 79170563) is 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid?
The InChIKey is GYOWKKMYBHXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-13(8-11(16)17)12(18)15-6-5-9-3-4-10(7-15)14(9)2/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid?
2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79170563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).