methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate

C15H29NO3 — CID 55143758

IUPACmethyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCOC1CCCCCC1)NC(C)C
InChIInChI=1S/C15H29NO3/c1-12(2)16-14(15(17)18-3)10-11-19-13-8-6-4-5-7-9-13/h12-14,16H,4-11H2,1-3H3
InChIKeyDHZGFMHMTXZNGD-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds7

About methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate

methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate (PubChem CID 55143758) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
PubChem CID55143758
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCOC1CCCCCC1)NC(C)C
InChIInChI=1S/C15H29NO3/c1-12(2)16-14(15(17)18-3)10-11-19-13-8-6-4-5-7-9-13/h12-14,16H,4-11H2,1-3H3
InChIKeyDHZGFMHMTXZNGD-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
ethyl 4-(3,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 64745772
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
2-amino-4-cycloheptyloxybutanamide
CID 63039802

Frequently Asked Questions

What is the IUPAC name of methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate (CID 55143758) is methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate is COC(=O)C(CCOC1CCCCCC1)NC(C)C.
What is the InChIKey of methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate?
The InChIKey is DHZGFMHMTXZNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(2)16-14(15(17)18-3)10-11-19-13-8-6-4-5-7-9-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate?
methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate has a molecular weight of 271.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 55143758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).