(2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid

C19H39NO3 — CID 91601220

IUPAC(2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid
SMILESCC(C)CCCCCCCCCCCCCN[C@@H](CO)C(=O)O
InChIInChI=1S/C19H39NO3/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-18(16-21)19(22)23/h17-18,20-21H,3-16H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyJHMDZJSRAVHFJH-SFHVURJKSA-N
MW329.53 g/mol
LogP4.36
Rot. Bonds17

About (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid

(2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid (PubChem CID 91601220) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid
PubChem CID91601220
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name(2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid
SMILESCC(C)CCCCCCCCCCCCCN[C@@H](CO)C(=O)O
InChIInChI=1S/C19H39NO3/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-18(16-21)19(22)23/h17-18,20-21H,3-16H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyJHMDZJSRAVHFJH-SFHVURJKSA-N
XLogP4.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid (CID 91601220) is (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid is CC(C)CCCCCCCCCCCCCN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid?
The InChIKey is JHMDZJSRAVHFJH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H39NO3/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-18(16-21)19(22)23/h17-18,20-21H,3-16H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid?
(2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid has a molecular weight of 329.53 g/mol, XLogP of 4.36, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(14-methylpentadecylamino)propanoic acid is sourced from PubChem (CID 91601220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).