methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate

C15H27NO3 — CID 103253418

IUPACmethyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate
SMILESCCC1CCC(O)(CNC(C(=O)OC)C2CC2)CC1
InChIInChI=1S/C15H27NO3/c1-3-11-6-8-15(18,9-7-11)10-16-13(12-4-5-12)14(17)19-2/h11-13,16,18H,3-10H2,1-2H3
InChIKeyGDVWHYOJGCAOJV-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.86
Rot. Bonds6

About methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate

methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate (PubChem CID 103253418) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate
PubChem CID103253418
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate
SMILESCCC1CCC(O)(CNC(C(=O)OC)C2CC2)CC1
InChIInChI=1S/C15H27NO3/c1-3-11-6-8-15(18,9-7-11)10-16-13(12-4-5-12)14(17)19-2/h11-13,16,18H,3-10H2,1-2H3
InChIKeyGDVWHYOJGCAOJV-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
CID 65118877
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
CID 65118871
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
2-cyclopropyl-2-[(1-hydroxycyclohexyl)methylamino]acetic acid
CID 65213323
2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65173907
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate (CID 103253418) is methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate is CCC1CCC(O)(CNC(C(=O)OC)C2CC2)CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate?
The InChIKey is GDVWHYOJGCAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-11-6-8-15(18,9-7-11)10-16-13(12-4-5-12)14(17)19-2/h11-13,16,18H,3-10H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate?
methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate has a molecular weight of 269.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate is sourced from PubChem (CID 103253418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).