20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid

C26H51N3O5 — CID 118266936

IUPAC20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid
SMILESNN[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C26H51N3O5/c27-29-23(26(33)34)19-17-18-22-28-24(30)20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-25(31)32/h23,29H,1-22,27H2,(H,28,30)(H,31,32)(H,33,34)/t23-/m0/s1
InChIKeyNLYDITQAJXNWRB-QHCPKHFHSA-N
MW485.71 g/mol
LogP5.30
Rot. Bonds26

About 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid

20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid (PubChem CID 118266936) has the molecular formula C26H51N3O5 and a molecular weight of 485.71 g/mol. Its IUPAC name is 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid.

Molecular Properties

Compound Name20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid
PubChem CID118266936
Molecular FormulaC26H51N3O5
Molecular Weight485.71 g/mol
Exact Mass485.38
IUPAC Name20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid
SMILESNN[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C26H51N3O5/c27-29-23(26(33)34)19-17-18-22-28-24(30)20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-25(31)32/h23,29H,1-22,27H2,(H,28,30)(H,31,32)(H,33,34)/t23-/m0/s1
InChIKeyNLYDITQAJXNWRB-QHCPKHFHSA-N
XLogP5.30
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.71
LogP ≤ 55.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyloctanedioic acid
CID 150661126
18-[[(5S)-5-carboxy-5-(iodoamino)pentyl]amino]-18-oxooctadecanoic acid
CID 138731438
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-5-carboxy-5-hydrazinylpentyl]carbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88960098
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
16-[[5-[(2-bromoacetyl)amino]-1-carboxypentyl]amino]-16-oxohexadecanoic acid
CID 88929631
16-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 118070991
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-carboxy-5-(phosphanylamino)pentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946729
18-[[4-[[(5R)-5-aminohexyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 162681415
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid?
The IUPAC name of 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid (CID 118266936) is 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid.
What is the SMILES notation for 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid?
The canonical SMILES for 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid is NN[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid?
The InChIKey is NLYDITQAJXNWRB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H51N3O5/c27-29-23(26(33)34)19-17-18-22-28-24(30)20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-25(31)32/h23,29H,1-22,27H2,(H,28,30)(H,31,32)(H,33,34)/t23-/m0/s1.
What are the key properties of 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid?
20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid has a molecular weight of 485.71 g/mol, XLogP of 5.30, 26 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[[(5S)-5-carboxy-5-hydrazinylpentyl]amino]-20-oxoicosanoic acid is sourced from PubChem (CID 118266936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).