cycloheptylmethyl 2-(cyclopropylmethylamino)acetate

C14H25NO2 — CID 114248573

IUPACcycloheptylmethyl 2-(cyclopropylmethylamino)acetate
SMILESO=C(CNCC1CC1)OCC1CCCCCC1
InChIInChI=1S/C14H25NO2/c16-14(10-15-9-12-7-8-12)17-11-13-5-3-1-2-4-6-13/h12-13,15H,1-11H2
InChIKeyNPVNSHYNDDAKGD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds6

About cycloheptylmethyl 2-(cyclopropylmethylamino)acetate

cycloheptylmethyl 2-(cyclopropylmethylamino)acetate (PubChem CID 114248573) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is cycloheptylmethyl 2-(cyclopropylmethylamino)acetate.

Molecular Properties

Compound Namecycloheptylmethyl 2-(cyclopropylmethylamino)acetate
PubChem CID114248573
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namecycloheptylmethyl 2-(cyclopropylmethylamino)acetate
SMILESO=C(CNCC1CC1)OCC1CCCCCC1
InChIInChI=1S/C14H25NO2/c16-14(10-15-9-12-7-8-12)17-11-13-5-3-1-2-4-6-13/h12-13,15H,1-11H2
InChIKeyNPVNSHYNDDAKGD-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
CID 116557677
cyclohexylmethyl 2-oxoacetate
CID 174782114
1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
CID 116557770
cyclohexylmethyl but-3-enoate
CID 142409081
N-cyclopentyloxy-2-(cyclopropylmethylamino)acetamide
CID 83235393
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
cycloheptylmethyl N-methylcarbamate
CID 57322822
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
cyclohexylmethyl 3-oxohex-5-enoate
CID 89082849
[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid
CID 123511485

Frequently Asked Questions

What is the IUPAC name of cycloheptylmethyl 2-(cyclopropylmethylamino)acetate?
The IUPAC name of cycloheptylmethyl 2-(cyclopropylmethylamino)acetate (CID 114248573) is cycloheptylmethyl 2-(cyclopropylmethylamino)acetate.
What is the SMILES notation for cycloheptylmethyl 2-(cyclopropylmethylamino)acetate?
The canonical SMILES for cycloheptylmethyl 2-(cyclopropylmethylamino)acetate is O=C(CNCC1CC1)OCC1CCCCCC1.
What is the InChIKey of cycloheptylmethyl 2-(cyclopropylmethylamino)acetate?
The InChIKey is NPVNSHYNDDAKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-14(10-15-9-12-7-8-12)17-11-13-5-3-1-2-4-6-13/h12-13,15H,1-11H2.
What are the key properties of cycloheptylmethyl 2-(cyclopropylmethylamino)acetate?
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate has a molecular weight of 239.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl 2-(cyclopropylmethylamino)acetate is sourced from PubChem (CID 114248573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).