3-amino-2-(hexadecanoylamino)propanoic acid

C19H38N2O3 — CID 155315524

IUPAC3-amino-2-(hexadecanoylamino)propanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(CN)C(=O)O
InChIInChI=1S/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21-17(16-20)19(23)24/h17H,2-16,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyDSGSULHZCYAZFN-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.00
Rot. Bonds17

About 3-amino-2-(hexadecanoylamino)propanoic acid

3-amino-2-(hexadecanoylamino)propanoic acid (PubChem CID 155315524) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 3-amino-2-(hexadecanoylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(hexadecanoylamino)propanoic acid
PubChem CID155315524
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name3-amino-2-(hexadecanoylamino)propanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(CN)C(=O)O
InChIInChI=1S/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21-17(16-20)19(23)24/h17H,2-16,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyDSGSULHZCYAZFN-UHFFFAOYSA-N
XLogP4.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.00
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

(2S)-3-amino-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid;hydrochloride
CID 155550276
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
(2R)-3-sulfanyl-2-(tricosanoylamino)propanoic acid
CID 171116750
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(hexadecanoylamino)propanoic acid?
The IUPAC name of 3-amino-2-(hexadecanoylamino)propanoic acid (CID 155315524) is 3-amino-2-(hexadecanoylamino)propanoic acid.
What is the SMILES notation for 3-amino-2-(hexadecanoylamino)propanoic acid?
The canonical SMILES for 3-amino-2-(hexadecanoylamino)propanoic acid is CCCCCCCCCCCCCCCC(=O)NC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(hexadecanoylamino)propanoic acid?
The InChIKey is DSGSULHZCYAZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21-17(16-20)19(23)24/h17H,2-16,20H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-amino-2-(hexadecanoylamino)propanoic acid?
3-amino-2-(hexadecanoylamino)propanoic acid has a molecular weight of 342.52 g/mol, XLogP of 4.00, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(hexadecanoylamino)propanoic acid is sourced from PubChem (CID 155315524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).