(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid

C18H34N2O4 — CID 102500690

IUPAC(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h15H,2-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyXCYGCBVZSVXYON-OAHLLOKOSA-N
MW342.48 g/mol
LogP3.13
Rot. Bonds16

About (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid

(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid (PubChem CID 102500690) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
PubChem CID102500690
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h15H,2-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyXCYGCBVZSVXYON-OAHLLOKOSA-N
XLogP3.13
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.13
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

(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
(2S)-4-amino-2-[[2-(dodecanoylamino)acetyl]amino]-4-oxobutanoic acid
CID 175700078
(2S)-2-(decanoylamino)butanediamide
CID 54547398
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
(2S)-4-amino-2-(6-deuteriohexanoylamino)-4-oxobutanoic acid
CID 166594796
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
potassium;hydride;2-(tetradecanoylamino)butanedioic acid
CID 175453509

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid (CID 102500690) is (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid is CCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid?
The InChIKey is XCYGCBVZSVXYON-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h15H,2-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid?
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid has a molecular weight of 342.48 g/mol, XLogP of 3.13, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid is sourced from PubChem (CID 102500690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).