ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate

C14H25NO3 — CID 65214070

IUPACethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC1(O)CCCCC1)C1CC1
InChIInChI=1S/C14H25NO3/c1-2-18-13(16)10-15(12-6-7-12)11-14(17)8-4-3-5-9-14/h12,17H,2-11H2,1H3
InChIKeyRXKJUAXFQCEEOY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.71
Rot. Bonds6

About ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate

ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate (PubChem CID 65214070) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
PubChem CID65214070
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC1(O)CCCCC1)C1CC1
InChIInChI=1S/C14H25NO3/c1-2-18-13(16)10-15(12-6-7-12)11-14(17)8-4-3-5-9-14/h12,17H,2-11H2,1H3
InChIKeyRXKJUAXFQCEEOY-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate (CID 65214070) is ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate is CCOC(=O)CN(CC1(O)CCCCC1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate?
The InChIKey is RXKJUAXFQCEEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-13(16)10-15(12-6-7-12)11-14(17)8-4-3-5-9-14/h12,17H,2-11H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate?
ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate is sourced from PubChem (CID 65214070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).