14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid

C20H37NO4 — CID 129234537

IUPAC14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
SMILESCC(=O)CC[C@@H](C)NC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H37NO4/c1-17(15-16-18(2)22)21-19(23)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h17H,3-16H2,1-2H3,(H,21,23)(H,24,25)/t17-/m1/s1
InChIKeyGBIIGLUFJSLNFX-QGZVFWFLSA-N
MW355.52 g/mol
LogP4.63
Rot. Bonds17

About 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid

14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid (PubChem CID 129234537) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid.

Molecular Properties

Compound Name14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
PubChem CID129234537
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
SMILESCC(=O)CC[C@@H](C)NC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H37NO4/c1-17(15-16-18(2)22)21-19(23)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h17H,3-16H2,1-2H3,(H,21,23)(H,24,25)/t17-/m1/s1
InChIKeyGBIIGLUFJSLNFX-QGZVFWFLSA-N
XLogP4.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.63
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

18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946725
20-[[(3S)-2,2-dihydroxy-6-oxoheptan-3-yl]amino]-20-oxoicosanoic acid
CID 166668472
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276
20-(1-hydroxyethylamino)-20-oxoicosanoic acid
CID 137417852
18-[[4-[[1-carboxy-4-oxo-4-(4-oxopentylamino)butyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 138721343
N-pentan-2-ylundecanamide
CID 173258559
3-(heptanoylamino)butanoic acid
CID 43360958
2-[3-[(1-carboxy-4-oxopentyl)amino]-3-oxopropyl]-4-oxotricosanedioic acid
CID 164977488
2-[3-[[1-carboxy-4-[[1-carboxy-4-[(1-carboxy-4-oxopentyl)amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-3-oxopropyl]-6-oxoicosanedioic acid
CID 123283785
(2R)-2-[3-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-3-oxopropyl]-4-oxohenicosanedioic acid
CID 89470049
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid?
The IUPAC name of 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid (CID 129234537) is 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid.
What is the SMILES notation for 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid?
The canonical SMILES for 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid is CC(=O)CC[C@@H](C)NC(=O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid?
The InChIKey is GBIIGLUFJSLNFX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H37NO4/c1-17(15-16-18(2)22)21-19(23)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h17H,3-16H2,1-2H3,(H,21,23)(H,24,25)/t17-/m1/s1.
What are the key properties of 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid?
14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid has a molecular weight of 355.52 g/mol, XLogP of 4.63, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid is sourced from PubChem (CID 129234537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).