2-methylpropyl 2-(2-hydroxyethylamino)butanoate

C10H21NO3 — CID 82358549

IUPAC2-methylpropyl 2-(2-hydroxyethylamino)butanoate
SMILESCCC(NCCO)C(=O)OCC(C)C
InChIInChI=1S/C10H21NO3/c1-4-9(11-5-6-12)10(13)14-7-8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeySEOPMTJXFTZGAE-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds7

About 2-methylpropyl 2-(2-hydroxyethylamino)butanoate

2-methylpropyl 2-(2-hydroxyethylamino)butanoate (PubChem CID 82358549) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-hydroxyethylamino)butanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-hydroxyethylamino)butanoate
PubChem CID82358549
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-methylpropyl 2-(2-hydroxyethylamino)butanoate
SMILESCCC(NCCO)C(=O)OCC(C)C
InChIInChI=1S/C10H21NO3/c1-4-9(11-5-6-12)10(13)14-7-8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeySEOPMTJXFTZGAE-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(propylamino)butanoate
CID 60795885
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
CID 172703702
CID 172703702
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
ethyl 2-(2-ethoxyethylamino)butanoate
CID 64668942
butan-2-yl 2-(2-hydroxyethylamino)propanoate
CID 82358544
2-[(5-hydroxy-4-methylpentyl)amino]butanoic acid
CID 106158405
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 115352380
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 2-[(5-amino-5-oxopentyl)amino]butanoate
CID 106237052
2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
CID 107825334
2-methylpropyl 2-(aminomethyl)butanoate
CID 65220185

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-hydroxyethylamino)butanoate?
The IUPAC name of 2-methylpropyl 2-(2-hydroxyethylamino)butanoate (CID 82358549) is 2-methylpropyl 2-(2-hydroxyethylamino)butanoate.
What is the SMILES notation for 2-methylpropyl 2-(2-hydroxyethylamino)butanoate?
The canonical SMILES for 2-methylpropyl 2-(2-hydroxyethylamino)butanoate is CCC(NCCO)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-hydroxyethylamino)butanoate?
The InChIKey is SEOPMTJXFTZGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-9(11-5-6-12)10(13)14-7-8(2)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(2-hydroxyethylamino)butanoate?
2-methylpropyl 2-(2-hydroxyethylamino)butanoate has a molecular weight of 203.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-hydroxyethylamino)butanoate is sourced from PubChem (CID 82358549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).