ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate

C16H25NO3 — CID 103760799

IUPACethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1C2C3CCC(C3)C12)C(C)C
InChIInChI=1S/C16H25NO3/c1-4-20-12(18)8-17(9(2)3)16(19)15-13-10-5-6-11(7-10)14(13)15/h9-11,13-15H,4-8H2,1-3H3
InChIKeyTXDPFJIGCUFTRI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds5

About ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate

ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate (PubChem CID 103760799) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
PubChem CID103760799
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1C2C3CCC(C3)C12)C(C)C
InChIInChI=1S/C16H25NO3/c1-4-20-12(18)8-17(9(2)3)16(19)15-13-10-5-6-11(7-10)14(13)15/h9-11,13-15H,4-8H2,1-3H3
InChIKeyTXDPFJIGCUFTRI-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
CID 54896586
ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
CID 114826513
N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097196
ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate
CID 54916695
ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
CID 54916791
ethyl 2-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]acetate
CID 104520869
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
CID 76894068
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597
cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319555
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate (CID 103760799) is ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)C1C2C3CCC(C3)C12)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate?
The InChIKey is TXDPFJIGCUFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-12(18)8-17(9(2)3)16(19)15-13-10-5-6-11(7-10)14(13)15/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate?
ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate has a molecular weight of 279.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate is sourced from PubChem (CID 103760799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).