tert-butyl 2-(ethylamino)-3-hydroxypropanoate

C9H19NO3 — CID 146238971

IUPACtert-butyl 2-(ethylamino)-3-hydroxypropanoate
SMILESCCNC(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-10-7(6-11)8(12)13-9(2,3)4/h7,10-11H,5-6H2,1-4H3
InChIKeyFGHJXDWWGUSAOS-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds4

About tert-butyl 2-(ethylamino)-3-hydroxypropanoate

tert-butyl 2-(ethylamino)-3-hydroxypropanoate (PubChem CID 146238971) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl 2-(ethylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Nametert-butyl 2-(ethylamino)-3-hydroxypropanoate
PubChem CID146238971
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl 2-(ethylamino)-3-hydroxypropanoate
SMILESCCNC(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-10-7(6-11)8(12)13-9(2,3)4/h7,10-11H,5-6H2,1-4H3
InChIKeyFGHJXDWWGUSAOS-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(ethylamino)-4-methylpentanoate
CID 142936593
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
CID 88977246
CID 88977246
tert-butyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 174668046
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl 2-acetamidobutanoate
CID 14390034
tert-butyl (2S)-2-[[(2S)-2-aminobutyl]amino]butanoate
CID 170555643
ditert-butyl (2S)-2-(2-hydroxyethylamino)butanedioate
CID 86629018
tert-butyl 2,3-dihydroxypropanoate
CID 22035660

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(ethylamino)-3-hydroxypropanoate?
The IUPAC name of tert-butyl 2-(ethylamino)-3-hydroxypropanoate (CID 146238971) is tert-butyl 2-(ethylamino)-3-hydroxypropanoate.
What is the SMILES notation for tert-butyl 2-(ethylamino)-3-hydroxypropanoate?
The canonical SMILES for tert-butyl 2-(ethylamino)-3-hydroxypropanoate is CCNC(CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(ethylamino)-3-hydroxypropanoate?
The InChIKey is FGHJXDWWGUSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-10-7(6-11)8(12)13-9(2,3)4/h7,10-11H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-(ethylamino)-3-hydroxypropanoate?
tert-butyl 2-(ethylamino)-3-hydroxypropanoate has a molecular weight of 189.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(ethylamino)-3-hydroxypropanoate is sourced from PubChem (CID 146238971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).