methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate

C10H19NO3 — CID 106842801

IUPACmethyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
SMILESCOC(=O)C(NCCCCO)C1CC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9(8-4-5-8)11-6-2-3-7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyMHXUFGXXJSFJCQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds7

About methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate

methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate (PubChem CID 106842801) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
PubChem CID106842801
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
SMILESCOC(=O)C(NCCCCO)C1CC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9(8-4-5-8)11-6-2-3-7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyMHXUFGXXJSFJCQ-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473
methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
CID 103263241
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 103255210

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate (CID 106842801) is methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate is COC(=O)C(NCCCCO)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate?
The InChIKey is MHXUFGXXJSFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)9(8-4-5-8)11-6-2-3-7-12/h8-9,11-12H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate?
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 7 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-hydroxybutylamino)acetate is sourced from PubChem (CID 106842801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).