methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate

C11H21NO3 — CID 103267655

IUPACmethyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
SMILESCCC(O)CCNC(C(=O)OC)C1CC1
InChIInChI=1S/C11H21NO3/c1-3-9(13)6-7-12-10(8-4-5-8)11(14)15-2/h8-10,12-13H,3-7H2,1-2H3
InChIKeyRXLDPKMVBZKHBT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds7

About methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate

methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate (PubChem CID 103267655) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
PubChem CID103267655
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
SMILESCCC(O)CCNC(C(=O)OC)C1CC1
InChIInChI=1S/C11H21NO3/c1-3-9(13)6-7-12-10(8-4-5-8)11(14)15-2/h8-10,12-13H,3-7H2,1-2H3
InChIKeyRXLDPKMVBZKHBT-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
CID 106248256
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
CID 103263241
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate (CID 103267655) is methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate is CCC(O)CCNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate?
The InChIKey is RXLDPKMVBZKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(13)6-7-12-10(8-4-5-8)11(14)15-2/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate?
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 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-(3-hydroxypentylamino)acetate is sourced from PubChem (CID 103267655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).