methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate

C14H25NO2 — CID 115400720

IUPACmethyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
SMILESCOC(=O)C(C)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C14H25NO2/c1-9(11(16)17-5)15-12-13(2,3)10-6-7-14(12,4)8-10/h9-10,12,15H,6-8H2,1-5H3/t9?,10-,12?,14+/m0/s1
InChIKeyLICFNTNBUMPQRS-DETBEZNQSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds3

About methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate

methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate (PubChem CID 115400720) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
PubChem CID115400720
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
SMILESCOC(=O)C(C)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C14H25NO2/c1-9(11(16)17-5)15-12-13(2,3)10-6-7-14(12,4)8-10/h9-10,12,15H,6-8H2,1-5H3/t9?,10-,12?,14+/m0/s1
InChIKeyLICFNTNBUMPQRS-DETBEZNQSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate with MolForge

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Related Compounds

(1R,4S)-N-(1-methoxypropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400260
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 115400216
3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 106112965
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 77045551
4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 114210473
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate?
The IUPAC name of methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate (CID 115400720) is methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate is COC(=O)C(C)NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate?
The InChIKey is LICFNTNBUMPQRS-DETBEZNQSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9(11(16)17-5)15-12-13(2,3)10-6-7-14(12,4)8-10/h9-10,12,15H,6-8H2,1-5H3/t9?,10-,12?,14+/m0/s1.
What are the key properties of methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate?
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate has a molecular weight of 239.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate is sourced from PubChem (CID 115400720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).