4-(tridecanoylamino)butanoic acid

C17H33NO3 — CID 164851630

IUPAC4-(tridecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCC(=O)NCCCC(=O)O
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)18-15-12-14-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
InChIKeyLTYGDTCYYYDRFI-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.28
Rot. Bonds15

About 4-(tridecanoylamino)butanoic acid

4-(tridecanoylamino)butanoic acid (PubChem CID 164851630) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(tridecanoylamino)butanoic acid.

Molecular Properties

Compound Name4-(tridecanoylamino)butanoic acid
PubChem CID164851630
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name4-(tridecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCC(=O)NCCCC(=O)O
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)18-15-12-14-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
InChIKeyLTYGDTCYYYDRFI-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.28
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

6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
6-(butylamino)-6-oxohexanoic acid
CID 43529485
3-(tetradecanoylamino)propanoic acid
CID 3662949
3-(docosanoylamino)propanoic acid
CID 45357432
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
3-(dodecanoylamino)propanoic acid;zinc
CID 87141829
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
N-pentylicosanamide
CID 139961886
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of 4-(tridecanoylamino)butanoic acid?
The IUPAC name of 4-(tridecanoylamino)butanoic acid (CID 164851630) is 4-(tridecanoylamino)butanoic acid.
What is the SMILES notation for 4-(tridecanoylamino)butanoic acid?
The canonical SMILES for 4-(tridecanoylamino)butanoic acid is CCCCCCCCCCCCC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(tridecanoylamino)butanoic acid?
The InChIKey is LTYGDTCYYYDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)18-15-12-14-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(tridecanoylamino)butanoic acid?
4-(tridecanoylamino)butanoic acid has a molecular weight of 299.46 g/mol, XLogP of 4.28, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tridecanoylamino)butanoic acid is sourced from PubChem (CID 164851630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).