2-[4-(octanoylamino)butanoylamino]acetic acid

C14H26N2O4 — CID 170428184

IUPAC2-[4-(octanoylamino)butanoylamino]acetic acid
SMILESCCCCCCCC(=O)NCCCC(=O)NCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-3-4-5-6-8-12(17)15-10-7-9-13(18)16-11-14(19)20/h2-11H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLUYCMSNAMLGXRC-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.44
Rot. Bonds12

About 2-[4-(octanoylamino)butanoylamino]acetic acid

2-[4-(octanoylamino)butanoylamino]acetic acid (PubChem CID 170428184) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[4-(octanoylamino)butanoylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(octanoylamino)butanoylamino]acetic acid
PubChem CID170428184
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[4-(octanoylamino)butanoylamino]acetic acid
SMILESCCCCCCCC(=O)NCCCC(=O)NCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-3-4-5-6-8-12(17)15-10-7-9-13(18)16-11-14(19)20/h2-11H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLUYCMSNAMLGXRC-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.44
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

sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
4-(tridecanoylamino)butanoic acid
CID 164851630
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-pentylicosanamide
CID 139961886
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(octanoylamino)butanoylamino]acetic acid?
The IUPAC name of 2-[4-(octanoylamino)butanoylamino]acetic acid (CID 170428184) is 2-[4-(octanoylamino)butanoylamino]acetic acid.
What is the SMILES notation for 2-[4-(octanoylamino)butanoylamino]acetic acid?
The canonical SMILES for 2-[4-(octanoylamino)butanoylamino]acetic acid is CCCCCCCC(=O)NCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[4-(octanoylamino)butanoylamino]acetic acid?
The InChIKey is LUYCMSNAMLGXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-4-5-6-8-12(17)15-10-7-9-13(18)16-11-14(19)20/h2-11H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[4-(octanoylamino)butanoylamino]acetic acid?
2-[4-(octanoylamino)butanoylamino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.44, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(octanoylamino)butanoylamino]acetic acid is sourced from PubChem (CID 170428184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).