1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate

C14H27NO3 — CID 103489236

IUPAC1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate
SMILESCCOCC(C)OC(=O)C1(N)CCC(CC)CC1
InChIInChI=1S/C14H27NO3/c1-4-12-6-8-14(15,9-7-12)13(16)18-11(3)10-17-5-2/h11-12H,4-10,15H2,1-3H3
InChIKeySZUQNEWZCOGGET-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.25
Rot. Bonds6

About 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate

1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate (PubChem CID 103489236) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate
PubChem CID103489236
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate
SMILESCCOCC(C)OC(=O)C1(N)CCC(CC)CC1
InChIInChI=1S/C14H27NO3/c1-4-12-6-8-14(15,9-7-12)13(16)18-11(3)10-17-5-2/h11-12H,4-10,15H2,1-3H3
InChIKeySZUQNEWZCOGGET-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 102606951
1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
CID 103490005
1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
CID 103489015
1-amino-3-(1-ethoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103489823
1-ethoxypropan-2-yl cyclohexanecarboxylate
CID 126603945
1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239
1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate
CID 103489080
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233
4-methylpentan-2-yl 1-aminocycloheptane-1-carboxylate
CID 61279429
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate (CID 103489236) is 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate is CCOCC(C)OC(=O)C1(N)CCC(CC)CC1.
What is the InChIKey of 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
The InChIKey is SZUQNEWZCOGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-12-6-8-14(15,9-7-12)13(16)18-11(3)10-17-5-2/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate?
1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 103489236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).