2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid

C14H25N3O3 — CID 65472991

IUPAC2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC1CC2CCCC(C1)N2C)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-9(13(18)19)8-15-14(20)16-10-6-11-4-3-5-12(7-10)17(11)2/h9-12H,3-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyMIIPBCJVYBDHQI-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds4

About 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid

2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid (PubChem CID 65472991) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
PubChem CID65472991
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC1CC2CCCC(C1)N2C)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-9(13(18)19)8-15-14(20)16-10-6-11-4-3-5-12(7-10)17(11)2/h9-12H,3-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyMIIPBCJVYBDHQI-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid with MolForge

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508663
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
(2R)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 79009025
(2S)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65471471
1-(1-hydroxypropan-2-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508639
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
CID 65471203
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 75374803
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482945
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid (CID 65472991) is 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid is CC(CNC(=O)NC1CC2CCCC(C1)N2C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid?
The InChIKey is MIIPBCJVYBDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(13(18)19)8-15-14(20)16-10-6-11-4-3-5-12(7-10)17(11)2/h9-12H,3-8H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid?
2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 65472991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).