ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate

C15H25NO3 — CID 54896586

IUPACethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CC2CCC1C2)C(C)C
InChIInChI=1S/C15H25NO3/c1-4-19-14(17)9-16(10(2)3)15(18)13-8-11-5-6-12(13)7-11/h10-13H,4-9H2,1-3H3
InChIKeyUMWOEDHAGZBRGN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate

ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate (PubChem CID 54896586) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
PubChem CID54896586
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CC2CCC1C2)C(C)C
InChIInChI=1S/C15H25NO3/c1-4-19-14(17)9-16(10(2)3)15(18)13-8-11-5-6-12(13)7-11/h10-13H,4-9H2,1-3H3
InChIKeyUMWOEDHAGZBRGN-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
CID 103760799
N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 54996543
ethyl 2-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]acetate
CID 104520869
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365705
ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate
CID 54916695
methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
CID 43409497
ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
CID 114826513
N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 104555749
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate (CID 54896586) is ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)C1CC2CCC1C2)C(C)C.
What is the InChIKey of ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is UMWOEDHAGZBRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-19-14(17)9-16(10(2)3)15(18)13-8-11-5-6-12(13)7-11/h10-13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate?
ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 267.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 54896586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).