ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate

C10H21NO3 — CID 79386594

IUPACethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
SMILESCCOC(=O)C(C)N(C)CC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-6-14-9(12)8(2)11(5)7-10(3,4)13/h8,13H,6-7H2,1-5H3
InChIKeyXFLWZWXDPNMSGQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.64
Rot. Bonds5

About ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate

ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate (PubChem CID 79386594) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
PubChem CID79386594
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
SMILESCCOC(=O)C(C)N(C)CC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-6-14-9(12)8(2)11(5)7-10(3,4)13/h8,13H,6-7H2,1-5H3
InChIKeyXFLWZWXDPNMSGQ-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-propan-2-ylpropanamide
CID 79390687
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562
1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
CID 79390731
ethyl 2-[carbonochloridoyl(methyl)amino]propanoate
CID 134323297
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
ethyl (2S)-2-[2-[bis[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]ethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoate
CID 15468522
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 79389621
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
ethyl (2S)-2-[(4-cyanophenyl)methyl-methylamino]propanoate
CID 129369530

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate?
The IUPAC name of ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate (CID 79386594) is ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate?
The canonical SMILES for ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate is CCOC(=O)C(C)N(C)CC(C)(C)O.
What is the InChIKey of ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate?
The InChIKey is XFLWZWXDPNMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-14-9(12)8(2)11(5)7-10(3,4)13/h8,13H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate?
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate is sourced from PubChem (CID 79386594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).