ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate

C10H21NO3 — CID 79250354

IUPACethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC(CO)C(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(13)5-6-11-9(7-12)8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyBQGDGHCYCSFIPO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds7

About ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate

ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate (PubChem CID 79250354) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
PubChem CID79250354
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC(CO)C(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(13)5-6-11-9(7-12)8(2)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyBQGDGHCYCSFIPO-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 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
CID 79250594
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
CID 90207580
ethyl 3-[(1,1-difluoro-4-oxobutan-2-yl)amino]propanoate;methoxyethane
CID 155731810
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate (CID 79250354) is ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate is CCOC(=O)CCNC(CO)C(C)C.
What is the InChIKey of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate?
The InChIKey is BQGDGHCYCSFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-14-10(13)5-6-11-9(7-12)8(2)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate?
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate 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 ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate is sourced from PubChem (CID 79250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).