(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid

C18H35NO4 — CID 90103155

IUPAC(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)O
InChIInChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(21)19-17(15(2)20)18(22)23/h15,17,20H,3-14H2,1-2H3,(H,19,21)(H,22,23)/t15?,17-/m0/s1
InChIKeyHIYNZBIRJLYJBX-LWKPJOBUSA-N
MW329.48 g/mol
LogP3.64
Rot. Bonds15

About (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid

(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid (PubChem CID 90103155) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
PubChem CID90103155
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)O
InChIInChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(21)19-17(15(2)20)18(22)23/h15,17,20H,3-14H2,1-2H3,(H,19,21)(H,22,23)/t15?,17-/m0/s1
InChIKeyHIYNZBIRJLYJBX-LWKPJOBUSA-N
XLogP3.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.64
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

3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
(2S)-2-(hexanoylamino)-3-hydroxybutanoic acid
CID 88714343
CID 173193543
CID 173193543
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
2-[[2-(decanoylamino)-3-hydroxyheptanoyl]amino]-3-hydroxybutanoic acid
CID 141347292
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid (CID 90103155) is (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid is CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)O.
What is the InChIKey of (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid?
The InChIKey is HIYNZBIRJLYJBX-LWKPJOBUSA-N. The full InChI is InChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(21)19-17(15(2)20)18(22)23/h15,17,20H,3-14H2,1-2H3,(H,19,21)(H,22,23)/t15?,17-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid?
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid has a molecular weight of 329.48 g/mol, XLogP of 3.64, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid is sourced from PubChem (CID 90103155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).