(2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid

C13H25N2O4P — CID 143864284

IUPAC(2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid
SMILESCC[C@@H](CCC(=O)NCCCCC(C=O)NP)C(=O)O
InChIInChI=1S/C13H25N2O4P/c1-2-10(13(18)19)6-7-12(17)14-8-4-3-5-11(9-16)15-20/h9-11,15H,2-8,20H2,1H3,(H,14,17)(H,18,19)/t10-,11?/m0/s1
InChIKeyRQQBKXRZFOEHDP-VUWPPUDQSA-N
MW304.33 g/mol
LogP1.11
Rot. Bonds12

About (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid

(2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid (PubChem CID 143864284) has the molecular formula C13H25N2O4P and a molecular weight of 304.33 g/mol. Its IUPAC name is (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid
PubChem CID143864284
Molecular FormulaC13H25N2O4P
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name(2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid
SMILESCC[C@@H](CCC(=O)NCCCCC(C=O)NP)C(=O)O
InChIInChI=1S/C13H25N2O4P/c1-2-10(13(18)19)6-7-12(17)14-8-4-3-5-11(9-16)15-20/h9-11,15H,2-8,20H2,1H3,(H,14,17)(H,18,19)/t10-,11?/m0/s1
InChIKeyRQQBKXRZFOEHDP-VUWPPUDQSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-18-(octadecanoylamino)octadecanoic acid
CID 87557567
2-[[(4S)-4-carboxy-4-[[4-carboxy-4-[[(4S)-4-carboxy-4-(14-oxotetradecanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid
CID 126637251
18-[[(1S)-1-carboxy-4-oxo-4-[[6-oxo-5-(phosphanylamino)hexyl]amino]butyl]amino]-18-oxooctadecanoic acid;ethane;(methyldisulfanyl)methane;methylsulfanylmethane
CID 143864311
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
5-[[1-carboxy-4-[(5-ethyl-6-oxoheptyl)amino]-4-oxobutyl]amino]-5-oxo-2-(2-oxopropyl)pentanoic acid
CID 158553566
18-[[(3S)-2-hydroxy-6-oxo-6-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[[(5S)-6-oxo-5-(phosphanylamino)hexyl]amino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]hex-1-en-3-yl]amino]-18-oxooctadecanoic acid
CID 89149587
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid
CID 87575529
2-[2-(octadecanoylamino)ethyl]docosanoic acid
CID 23189077
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
(2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid
CID 162244742
2-[[(4S)-4-acetamido-5-oxopentanoyl]amino]-5-[[(2S)-5-(butylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 88990623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid (CID 143864284) is (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid is CC[C@@H](CCC(=O)NCCCCC(C=O)NP)C(=O)O.
What is the InChIKey of (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid?
The InChIKey is RQQBKXRZFOEHDP-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H25N2O4P/c1-2-10(13(18)19)6-7-12(17)14-8-4-3-5-11(9-16)15-20/h9-11,15H,2-8,20H2,1H3,(H,14,17)(H,18,19)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid?
(2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid has a molecular weight of 304.33 g/mol, XLogP of 1.11, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-5-oxo-5-[[6-oxo-5-(phosphanylamino)hexyl]amino]pentanoic acid is sourced from PubChem (CID 143864284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).