5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid

C13H24N2O5 — CID 74317300

IUPAC5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid
SMILESCC1(C)COC(CCNC(CCC(N)=O)C(=O)O)OC1
InChIInChI=1S/C13H24N2O5/c1-13(2)7-19-11(20-8-13)5-6-15-9(12(17)18)3-4-10(14)16/h9,11,15H,3-8H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyMFJQNRGOLDFHTP-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.08
Rot. Bonds8

About 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid

5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 74317300) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid
PubChem CID74317300
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid
SMILESCC1(C)COC(CCNC(CCC(N)=O)C(=O)O)OC1
InChIInChI=1S/C13H24N2O5/c1-13(2)7-19-11(20-8-13)5-6-15-9(12(17)18)3-4-10(14)16/h9,11,15H,3-8H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyMFJQNRGOLDFHTP-UHFFFAOYSA-N
XLogP0.08
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]pentanedioic acid
CID 24795716
(2S)-5-(diaminomethylideneamino)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]pentanoic acid
CID 24795848
methyl 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-4-methylpentanoate
CID 74317065
methyl 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-hydroxybutanoate
CID 74317113
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid
CID 21134302
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
3-amino-6-(5,5-dimethyl-1,3-dioxan-2-yl)hexanoic acid
CID 170872491
(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 173018934
5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 174327511

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid (CID 74317300) is 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid is CC1(C)COC(CCNC(CCC(N)=O)C(=O)O)OC1.
What is the InChIKey of 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is MFJQNRGOLDFHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(2)7-19-11(20-8-13)5-6-15-9(12(17)18)3-4-10(14)16/h9,11,15H,3-8H2,1-2H3,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid?
5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 74317300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).