5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

C11H20N2O4 — CID 115356094

IUPAC5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCC(C)(C)NC(=O)CNC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)13-9(15)7-12-8(14)5-4-6-10(16)17/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySKHNGDYXJFHZEP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds6

About 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (PubChem CID 115356094) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
PubChem CID115356094
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCC(C)(C)NC(=O)CNC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)13-9(15)7-12-8(14)5-4-6-10(16)17/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySKHNGDYXJFHZEP-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
N,N'-ditert-butylhexanediamide
CID 3593481
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
N-tert-butyl-4-hydroxybutanamide
CID 11829724
chloromethane;pentanedioic acid
CID 159659659

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (CID 115356094) is 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is CC(C)(C)NC(=O)CNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The InChIKey is SKHNGDYXJFHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)13-9(15)7-12-8(14)5-4-6-10(16)17/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 115356094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).