(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide

C17H36N2O4 — CID 87408831

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide
SMILESCCCCCCCCCCCCCC(N)=O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H29NO.C3H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;4-2(1-5)3(6)7/h2-13H2,1H3,(H2,15,16);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyLCXJRCBZIQYVAV-WNQIDUERSA-N
MW332.49 g/mol
LogP2.56
Rot. Bonds14

About (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide

(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide (PubChem CID 87408831) has the molecular formula C17H36N2O4 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide
PubChem CID87408831
Molecular FormulaC17H36N2O4
Molecular Weight332.49 g/mol
Exact Mass332.27
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide
SMILESCCCCCCCCCCCCCC(N)=O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H29NO.C3H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;4-2(1-5)3(6)7/h2-13H2,1H3,(H2,15,16);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyLCXJRCBZIQYVAV-WNQIDUERSA-N
XLogP2.56
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-diaminohexanoic acid;dodecanamide
CID 87964138
ethanol;tridecanamide
CID 174935457
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 86612385
2-amino-1-hydroxyoctadecan-3-one
CID 631
octadecanamide;zinc
CID 87169213
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
dodecanamide;hexanoic acid
CID 19807771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide (CID 87408831) is (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide is CCCCCCCCCCCCCC(N)=O.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide?
The InChIKey is LCXJRCBZIQYVAV-WNQIDUERSA-N. The full InChI is InChI=1S/C14H29NO.C3H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;4-2(1-5)3(6)7/h2-13H2,1H3,(H2,15,16);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide?
(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide has a molecular weight of 332.49 g/mol, XLogP of 2.56, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide is sourced from PubChem (CID 87408831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).