2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid

C11H15NO3 — CID 99849593

IUPAC2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12
InChIInChI=1S/C11H15NO3/c13-7(14)4-12-11(15)10-8-5-1-2-6(3-5)9(8)10/h5-6,8-10H,1-4H2,(H,12,15)(H,13,14)/t5-,6-,8-,9-/m1/s1
InChIKeyUNGFNLHQZCRUBF-SQEXRHODSA-N
MW209.24 g/mol
LogP0.48
Rot. Bonds3

About 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid

2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid (PubChem CID 99849593) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
PubChem CID99849593
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12
InChIInChI=1S/C11H15NO3/c13-7(14)4-12-11(15)10-8-5-1-2-6(3-5)9(8)10/h5-6,8-10H,1-4H2,(H,12,15)(H,13,14)/t5-,6-,8-,9-/m1/s1
InChIKeyUNGFNLHQZCRUBF-SQEXRHODSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
CID 129436866
cyclohexyl 2-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetate
CID 100625707
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119432515
N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103829374
N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103807170
N-[(2-aminocyclopentyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806310
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097212
N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103801537
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209
N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761880
N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119404440
(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
CID 98891185

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid (CID 99849593) is 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12.
What is the InChIKey of 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid?
The InChIKey is UNGFNLHQZCRUBF-SQEXRHODSA-N. The full InChI is InChI=1S/C11H15NO3/c13-7(14)4-12-11(15)10-8-5-1-2-6(3-5)9(8)10/h5-6,8-10H,1-4H2,(H,12,15)(H,13,14)/t5-,6-,8-,9-/m1/s1.
What are the key properties of 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid?
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 99849593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).