2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid

C14H25N3O2 — CID 79174738

IUPAC2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
SMILESCN1C2CCC1CN(CC(NC1CC1)C(=O)O)CC2
InChIInChI=1S/C14H25N3O2/c1-16-11-4-5-12(16)8-17(7-6-11)9-13(14(18)19)15-10-2-3-10/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyUCRRPRDQGBILJK-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.36
Rot. Bonds5

About 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid

2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid (PubChem CID 79174738) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
PubChem CID79174738
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
SMILESCN1C2CCC1CN(CC(NC1CC1)C(=O)O)CC2
InChIInChI=1S/C14H25N3O2/c1-16-11-4-5-12(16)8-17(7-6-11)9-13(14(18)19)15-10-2-3-10/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyUCRRPRDQGBILJK-UHFFFAOYSA-N
XLogP0.36
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
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3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)propanoic acid
CID 79935240
2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66372148
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoic acid
CID 114083679
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 55142771
4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63165353
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid (CID 79174738) is 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid is CN1C2CCC1CN(CC(NC1CC1)C(=O)O)CC2.
What is the InChIKey of 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid?
The InChIKey is UCRRPRDQGBILJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-11-4-5-12(16)8-17(7-6-11)9-13(14(18)19)15-10-2-3-10/h10-13,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid?
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid has a molecular weight of 267.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid is sourced from PubChem (CID 79174738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).