(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid

C19H37NO4 — CID 54563283

IUPAC(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
SMILESCCCCCCCCCCCCCC(=O)N(CCO)[C@@H](C)C(=O)O
InChIInChI=1S/C19H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)20(15-16-21)17(2)19(23)24/h17,21H,3-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyZSBDBQFVJMLNAQ-KRWDZBQOSA-N
MW343.51 g/mol
LogP3.98
Rot. Bonds16

About (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid

(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid (PubChem CID 54563283) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
PubChem CID54563283
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
SMILESCCCCCCCCCCCCCC(=O)N(CCO)[C@@H](C)C(=O)O
InChIInChI=1S/C19H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)20(15-16-21)17(2)19(23)24/h17,21H,3-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyZSBDBQFVJMLNAQ-KRWDZBQOSA-N
XLogP3.98
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
CID 54994470
(2S)-2-[2-carboxyethyl(octadec-9-enoyl)amino]propanoic acid
CID 54276023
2-[1-carboxyethyl-[2-[dodecanoyl(2-hydroxyethyl)amino]ethyl]amino]propanoic acid
CID 19746994
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
N-[1-[2-[bis[2-[[2-[dodecanoyl(2-hydroxyethyl)amino]-3-methylbutanoyl]amino]ethyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-(2-hydroxyethyl)dodecanamide
CID 170099115
sodium 3-amino-3-[dodecanoyl(2-hydroxyethyl)amino]propanoate
CID 158887853
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid (CID 54563283) is (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid is CCCCCCCCCCCCCC(=O)N(CCO)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid?
The InChIKey is ZSBDBQFVJMLNAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)20(15-16-21)17(2)19(23)24/h17,21H,3-16H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid?
(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid has a molecular weight of 343.51 g/mol, XLogP of 3.98, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid is sourced from PubChem (CID 54563283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).