methyl 3-(2-hydroxyethylamino)-2-methylpropanoate

C7H15NO3 — CID 43398406

IUPACmethyl 3-(2-hydroxyethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNCCO
InChIInChI=1S/C7H15NO3/c1-6(7(10)11-2)5-8-3-4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyGHIYFNJPVPGKQB-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.62
Rot. Bonds5

About methyl 3-(2-hydroxyethylamino)-2-methylpropanoate

methyl 3-(2-hydroxyethylamino)-2-methylpropanoate (PubChem CID 43398406) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethylamino)-2-methylpropanoate
PubChem CID43398406
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 3-(2-hydroxyethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNCCO
InChIInChI=1S/C7H15NO3/c1-6(7(10)11-2)5-8-3-4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyGHIYFNJPVPGKQB-UHFFFAOYSA-N
XLogP-0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.62
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 (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
CID 106246638
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
methyl 3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107231032

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-hydroxyethylamino)-2-methylpropanoate (CID 43398406) is methyl 3-(2-hydroxyethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-hydroxyethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-hydroxyethylamino)-2-methylpropanoate is COC(=O)C(C)CNCCO.
What is the InChIKey of methyl 3-(2-hydroxyethylamino)-2-methylpropanoate?
The InChIKey is GHIYFNJPVPGKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(7(10)11-2)5-8-3-4-9/h6,8-9H,3-5H2,1-2H3.
What are the key properties of methyl 3-(2-hydroxyethylamino)-2-methylpropanoate?
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate has a molecular weight of 161.20 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethylamino)-2-methylpropanoate is sourced from PubChem (CID 43398406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).