ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate

C15H26N2O3 — CID 120987730

IUPACethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C15H26N2O3/c1-2-20-13(18)6-7-17-15(19)12-8-10-4-3-5-11(9-12)14(10)16/h10-12,14H,2-9,16H2,1H3,(H,17,19)
InChIKeyPPHMQGRZPOMWKT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.21
Rot. Bonds5

About ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate

ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate (PubChem CID 120987730) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
PubChem CID120987730
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C15H26N2O3/c1-2-20-13(18)6-7-17-15(19)12-8-10-4-3-5-11(9-12)14(10)16/h10-12,14H,2-9,16H2,1H3,(H,17,19)
InChIKeyPPHMQGRZPOMWKT-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988149
ethyl 3-[4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]propanoate
CID 120990507
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate (CID 120987730) is ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
The InChIKey is PPHMQGRZPOMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-13(18)6-7-17-15(19)12-8-10-4-3-5-11(9-12)14(10)16/h10-12,14H,2-9,16H2,1H3,(H,17,19).
What are the key properties of ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate has a molecular weight of 282.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 120987730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).