methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate

C10H19NO4 — CID 104644477

IUPACmethyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNCC(O)C1CC1
InChIInChI=1S/C10H19NO4/c1-10(14,9(13)15-2)6-11-5-8(12)7-3-4-7/h7-8,11-12,14H,3-6H2,1-2H3
InChIKeyZCOTVDFGTABETB-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.73
Rot. Bonds6

About methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate

methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate (PubChem CID 104644477) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate
PubChem CID104644477
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNCC(O)C1CC1
InChIInChI=1S/C10H19NO4/c1-10(14,9(13)15-2)6-11-5-8(12)7-3-4-7/h7-8,11-12,14H,3-6H2,1-2H3
InChIKeyZCOTVDFGTABETB-UHFFFAOYSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
CID 104644498
tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate
CID 115630476
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 63298890
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63298478
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63297255
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate (CID 104644477) is methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CNCC(O)C1CC1.
What is the InChIKey of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate?
The InChIKey is ZCOTVDFGTABETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(14,9(13)15-2)6-11-5-8(12)7-3-4-7/h7-8,11-12,14H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate?
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate has a molecular weight of 217.26 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 104644477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).