3-(heptanoylamino)butanoic acid

C11H21NO3 — CID 43360958

IUPAC3-(heptanoylamino)butanoic acid
SMILESCCCCCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-10(13)12-9(2)8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyACPGOGGHBAUWAC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.94
Rot. Bonds8

About 3-(heptanoylamino)butanoic acid

3-(heptanoylamino)butanoic acid (PubChem CID 43360958) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(heptanoylamino)butanoic acid.

Molecular Properties

Compound Name3-(heptanoylamino)butanoic acid
PubChem CID43360958
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(heptanoylamino)butanoic acid
SMILESCCCCCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-10(13)12-9(2)8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyACPGOGGHBAUWAC-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-ylundecanamide
CID 173258559
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylnonanamide
CID 4188803
N-heptan-2-yldodecanamide
CID 3484810
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
CID 77069082
N-(4-aminobutan-2-yl)octanamide
CID 62087208
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
(3R)-3-(decanoylamino)-5-methylhexanoic acid
CID 10380017
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751

Frequently Asked Questions

What is the IUPAC name of 3-(heptanoylamino)butanoic acid?
The IUPAC name of 3-(heptanoylamino)butanoic acid (CID 43360958) is 3-(heptanoylamino)butanoic acid.
What is the SMILES notation for 3-(heptanoylamino)butanoic acid?
The canonical SMILES for 3-(heptanoylamino)butanoic acid is CCCCCCC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-(heptanoylamino)butanoic acid?
The InChIKey is ACPGOGGHBAUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-5-6-7-10(13)12-9(2)8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(heptanoylamino)butanoic acid?
3-(heptanoylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptanoylamino)butanoic acid is sourced from PubChem (CID 43360958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).