(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid

C19H37NO4 — CID 6453686

IUPAC(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKeyBFVRFWIQTACAPT-KRWDZBQOSA-N
MW343.51 g/mol
LogP4.03
Rot. Bonds17

About (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid

(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid (PubChem CID 6453686) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
PubChem CID6453686
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKeyBFVRFWIQTACAPT-KRWDZBQOSA-N
XLogP4.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.03
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)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
3-amino-2-(hexadecanoylamino)propanoic acid
CID 155315524
(2R)-3-sulfanyl-2-(tricosanoylamino)propanoic acid
CID 171116750
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 5283390
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
3-[[2-carboxy-2-(decanoylamino)ethyl]disulfanyl]-2-(decanoylamino)propanoic acid
CID 23185098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid (CID 6453686) is (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid is CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid?
The InChIKey is BFVRFWIQTACAPT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid?
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid has a molecular weight of 343.51 g/mol, XLogP of 4.03, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 6453686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).