5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid

C12H24N2O3 — CID 103263111

IUPAC5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
SMILESCC(C)(C)NC(=O)CCNCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,3)14-10(15)7-9-13-8-5-4-6-11(16)17/h13H,4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZKMBABQVNIFGHG-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.14
Rot. Bonds8

About 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid

5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid (PubChem CID 103263111) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
PubChem CID103263111
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
SMILESCC(C)(C)NC(=O)CCNCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,3)14-10(15)7-9-13-8-5-4-6-11(16)17/h13H,4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZKMBABQVNIFGHG-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
N-tert-butyl-3-(4-methoxybutylamino)propanamide
CID 115605378
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N,N'-ditert-butylhexanediamide
CID 3593481
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
10-(ethylamino)decanoic acid
CID 57308942
5-(propylamino)pentanoic acid
CID 103691549
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
3-(5-oxohexylamino)propanoic acid
CID 87146551
13-(hexylamino)tridecanoic acid
CID 21488721

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid?
The IUPAC name of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid (CID 103263111) is 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid?
The canonical SMILES for 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid is CC(C)(C)NC(=O)CCNCCCCC(=O)O.
What is the InChIKey of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid?
The InChIKey is ZKMBABQVNIFGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)14-10(15)7-9-13-8-5-4-6-11(16)17/h13H,4-9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid?
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid is sourced from PubChem (CID 103263111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).