24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid

C30H58N2O5 — CID 102018934

IUPAC24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
SMILESN[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C30H58N2O5/c31-27(30(36)37)23-21-22-26-32-28(33)24-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25-29(34)35/h27H,1-26,31H2,(H,32,33)(H,34,35)(H,36,37)/t27-/m0/s1
InChIKeyWKMOPYBKROGWIV-MHZLTWQESA-N
MW526.80 g/mol
LogP7.35
Rot. Bonds29

About 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid

24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid (PubChem CID 102018934) has the molecular formula C30H58N2O5 and a molecular weight of 526.80 g/mol. Its IUPAC name is 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid.

Molecular Properties

Compound Name24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
PubChem CID102018934
Molecular FormulaC30H58N2O5
Molecular Weight526.80 g/mol
Exact Mass526.43
IUPAC Name24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
SMILESN[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C30H58N2O5/c31-27(30(36)37)23-21-22-26-32-28(33)24-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25-29(34)35/h27H,1-26,31H2,(H,32,33)(H,34,35)(H,36,37)/t27-/m0/s1
InChIKeyWKMOPYBKROGWIV-MHZLTWQESA-N
XLogP7.35
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.80
LogP ≤ 57.35
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

20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
(2S)-2-amino-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700
16-[2-[2-[2-[2-[3-[[(5S)-5-amino-5-carboxypentyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 88854721
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
18-[[3-[[(5S)-5-amino-5-carboxypentyl]amino]-3-oxopropyl]-(carboxymethyl)amino]-18-oxooctadecanoic acid
CID 129288259
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
(2S)-2-amino-6-(dodecanoylamino)hexanoic acid;N-octadecylformamide
CID 87995188
20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid
CID 118266936
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid?
The IUPAC name of 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid (CID 102018934) is 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid.
What is the SMILES notation for 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid?
The canonical SMILES for 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid is N[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid?
The InChIKey is WKMOPYBKROGWIV-MHZLTWQESA-N. The full InChI is InChI=1S/C30H58N2O5/c31-27(30(36)37)23-21-22-26-32-28(33)24-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25-29(34)35/h27H,1-26,31H2,(H,32,33)(H,34,35)(H,36,37)/t27-/m0/s1.
What are the key properties of 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid?
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid has a molecular weight of 526.80 g/mol, XLogP of 7.35, 29 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid is sourced from PubChem (CID 102018934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).