5-(4-propan-2-yloxybutanoylamino)pentanoic acid

C12H23NO4 — CID 120687441

IUPAC5-(4-propan-2-yloxybutanoylamino)pentanoic acid
SMILESCC(C)OCCCC(=O)NCCCCC(=O)O
InChIInChI=1S/C12H23NO4/c1-10(2)17-9-5-6-11(14)13-8-4-3-7-12(15)16/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUNJKWADRONRVJV-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.56
Rot. Bonds10

About 5-(4-propan-2-yloxybutanoylamino)pentanoic acid

5-(4-propan-2-yloxybutanoylamino)pentanoic acid (PubChem CID 120687441) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-propan-2-yloxybutanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxybutanoylamino)pentanoic acid
PubChem CID120687441
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name5-(4-propan-2-yloxybutanoylamino)pentanoic acid
SMILESCC(C)OCCCC(=O)NCCCCC(=O)O
InChIInChI=1S/C12H23NO4/c1-10(2)17-9-5-6-11(14)13-8-4-3-7-12(15)16/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUNJKWADRONRVJV-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxybutanoylamino)pentanoic acid?
The IUPAC name of 5-(4-propan-2-yloxybutanoylamino)pentanoic acid (CID 120687441) is 5-(4-propan-2-yloxybutanoylamino)pentanoic acid.
What is the SMILES notation for 5-(4-propan-2-yloxybutanoylamino)pentanoic acid?
The canonical SMILES for 5-(4-propan-2-yloxybutanoylamino)pentanoic acid is CC(C)OCCCC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-(4-propan-2-yloxybutanoylamino)pentanoic acid?
The InChIKey is UNJKWADRONRVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-10(2)17-9-5-6-11(14)13-8-4-3-7-12(15)16/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-(4-propan-2-yloxybutanoylamino)pentanoic acid?
5-(4-propan-2-yloxybutanoylamino)pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxybutanoylamino)pentanoic acid is sourced from PubChem (CID 120687441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).