methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate

C14H24N2O3 — CID 120985037

IUPACmethyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C14H24N2O3/c1-8(14(18)19-2)16-13(17)11-6-9-4-3-5-10(7-11)12(9)15/h8-12H,3-7,15H2,1-2H3,(H,16,17)/t8-,9?,10?,11?,12?/m0/s1
InChIKeyYCWHVLPFSLPJRJ-JKJWBTBISA-N
MW268.36 g/mol
LogP0.82
Rot. Bonds3

About methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate

methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate (PubChem CID 120985037) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
PubChem CID120985037
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C14H24N2O3/c1-8(14(18)19-2)16-13(17)11-6-9-4-3-5-10(7-11)12(9)15/h8-12H,3-7,15H2,1-2H3,(H,16,17)/t8-,9?,10?,11?,12?/m0/s1
InChIKeyYCWHVLPFSLPJRJ-JKJWBTBISA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989417
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
CID 119781274
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120993956

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate (CID 120985037) is methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
The InChIKey is YCWHVLPFSLPJRJ-JKJWBTBISA-N. The full InChI is InChI=1S/C14H24N2O3/c1-8(14(18)19-2)16-13(17)11-6-9-4-3-5-10(7-11)12(9)15/h8-12H,3-7,15H2,1-2H3,(H,16,17)/t8-,9?,10?,11?,12?/m0/s1.
What are the key properties of methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate has a molecular weight of 268.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 120985037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).