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

C13H19NO3 — CID 103925589

IUPAC2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H19NO3/c1-2-14(6-9(15)16)13(17)12-10-7-3-4-8(5-7)11(10)12/h7-8,10-12H,2-6H2,1H3,(H,15,16)
InChIKeyWKRJXDXCGUYGDK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds4

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

2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid (PubChem CID 103925589) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
PubChem CID103925589
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H19NO3/c1-2-14(6-9(15)16)13(17)12-10-7-3-4-8(5-7)11(10)12/h7-8,10-12H,2-6H2,1H3,(H,15,16)
InChIKeyWKRJXDXCGUYGDK-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[propyl-[(1R,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99851542
N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761925
2-[adamantane-2-carbonyl(propyl)amino]acetic acid
CID 81096544
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726667
2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
CID 61021350
2-[(2-cyclopropylcyclopropanecarbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346792
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
CID 103925583
N-cyclobutyl-N-(2-hydroxyethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102685011
ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
CID 103760799
(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid
CID 129466617
2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid
CID 120519682

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid (CID 103925589) is 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid?
The InChIKey is WKRJXDXCGUYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-14(6-9(15)16)13(17)12-10-7-3-4-8(5-7)11(10)12/h7-8,10-12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid?
2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 103925589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).