(2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid

C28H55NO3 — CID 141058785

IUPAC(2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCN[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C28H55NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-27(26(2)30)28(31)32/h10-11,26-27,29-30H,3-9,12-25H2,1-2H3,(H,31,32)/b11-10-/t26-,27+/m1/s1
InChIKeyRAWVIBXRBKUYIV-KSSCLEAOSA-N
MW453.75 g/mol
LogP7.79
Rot. Bonds25

About (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid

(2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid (PubChem CID 141058785) has the molecular formula C28H55NO3 and a molecular weight of 453.75 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid
PubChem CID141058785
Molecular FormulaC28H55NO3
Molecular Weight453.75 g/mol
Exact Mass453.42
IUPAC Name(2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCN[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C28H55NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-27(26(2)30)28(31)32/h10-11,26-27,29-30H,3-9,12-25H2,1-2H3,(H,31,32)/b11-10-/t26-,27+/m1/s1
InChIKeyRAWVIBXRBKUYIV-KSSCLEAOSA-N
XLogP7.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 57.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid with MolForge

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Related Compounds

N-Oleoyl-L-Serine
CID 44190514
N-Arachidonoyl L-serine
CID 10596625
N-oleoyl-D-serine
CID 86745788
N-oleoyl threonine
CID 52922063
3-hydroxy-2-[[(6E,9E)-octadeca-6,9-dienoyl]amino]propanoic acid
CID 44592715
3-hydroxy-2-[[(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoyl]amino]propanoic acid
CID 44592753
3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 5283390
sodium 2-[[(5Z,14Z)-18-hydroxyicosa-5,14-dienoyl]amino]acetate
CID 153316563
(2S,3S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]butanoic acid
CID 169210958
methyl (2S,3S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]butanoate
CID 169210967
N-arachidonoyl-L-serinate
CID 35026484
N-oleoyl-L-serinate
CID 122391300

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid (CID 141058785) is (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid is CCCCCCCC/C=C\CCCCCCCCCCCCCCN[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid?
The InChIKey is RAWVIBXRBKUYIV-KSSCLEAOSA-N. The full InChI is InChI=1S/C28H55NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-27(26(2)30)28(31)32/h10-11,26-27,29-30H,3-9,12-25H2,1-2H3,(H,31,32)/b11-10-/t26-,27+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid has a molecular weight of 453.75 g/mol, XLogP of 7.79, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enyl]amino]butanoic acid is sourced from PubChem (CID 141058785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).