methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate

C13H25NO3 — CID 103264717

IUPACmethyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
SMILESCCCCOCCCNC(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO3/c1-3-4-9-17-10-5-8-14-12(11-6-7-11)13(15)16-2/h11-12,14H,3-10H2,1-2H3
InChIKeySHTCOQPPZOJSTR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds10

About methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate

methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate (PubChem CID 103264717) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
PubChem CID103264717
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
SMILESCCCCOCCCNC(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO3/c1-3-4-9-17-10-5-8-14-12(11-6-7-11)13(15)16-2/h11-12,14H,3-10H2,1-2H3
InChIKeySHTCOQPPZOJSTR-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
CID 103263241
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate?
The IUPAC name of methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate (CID 103264717) is methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate?
The canonical SMILES for methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate is CCCCOCCCNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate?
The InChIKey is SHTCOQPPZOJSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-9-17-10-5-8-14-12(11-6-7-11)13(15)16-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate?
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate is sourced from PubChem (CID 103264717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).