methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate

C14H25NO3 — CID 62589837

IUPACmethyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCCCC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-11(2)15(10-13(16)18-3)14(17)12-8-6-4-5-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyITJGCTQWTKHMFG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds4

About methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate

methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate (PubChem CID 62589837) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
PubChem CID62589837
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCCCCC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-11(2)15(10-13(16)18-3)14(17)12-8-6-4-5-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyITJGCTQWTKHMFG-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 54942390
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate (CID 62589837) is methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)C1CCCCCC1)C(C)C.
What is the InChIKey of methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate?
The InChIKey is ITJGCTQWTKHMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)15(10-13(16)18-3)14(17)12-8-6-4-5-7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate?
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62589837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).