5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid

C10H22N3O5P — CID 144707010

IUPAC5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid
SMILESCNC(CCC(=O)NCCCCOP(N)O)C(=O)O
InChIInChI=1S/C10H22N3O5P/c1-12-8(10(15)16)4-5-9(14)13-6-2-3-7-18-19(11)17/h8,12,17H,2-7,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyJGSZPCXLOUNTAF-UHFFFAOYSA-N
MW295.28 g/mol
LogP-0.47
Rot. Bonds11

About 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid

5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid (PubChem CID 144707010) has the molecular formula C10H22N3O5P and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid
PubChem CID144707010
Molecular FormulaC10H22N3O5P
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid
SMILESCNC(CCC(=O)NCCCCOP(N)O)C(=O)O
InChIInChI=1S/C10H22N3O5P/c1-12-8(10(15)16)4-5-9(14)13-6-2-3-7-18-19(11)17/h8,12,17H,2-7,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyJGSZPCXLOUNTAF-UHFFFAOYSA-N
XLogP-0.47
TPSA133.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-5-oxo-5-(pentylamino)pentanoic acid
CID 90209237
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 145263476
6-[6-(hexadecanoylamino)hexanoylamino]-2-(methylamino)hexanoic acid
CID 174209801
10-[3-[2-[2-[3-[[4-[[(5S)-5-carboxy-5-(methylamino)pentyl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-10-oxodecanoic acid;methanamine
CID 90691199
10-[3-[2-[3-[[4-[[(1S)-1-carboxy-4-[[(5S)-5-carboxy-5-(methylamino)pentyl]amino]-4-oxobutyl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]propylamino]-10-oxodecanoic acid
CID 59476985
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2S)-6-[[(2S)-2-hydroxypropanoyl]amino]-2-(methylamino)hexanoic acid
CID 169025304
methyl (2S)-2-(methylamino)-6-(4-sulfanylbutanoylamino)hexanoate
CID 58895159
5-[[(1S)-1-carboxy-4-[[(5S)-6-dimethylphosphanyl-5-(methylamino)-6-oxohexyl]amino]-4-oxobutyl]amino]-2,4,4-trimethyl-5-oxopentanoic acid
CID 166960953
2-(hydroxymethylamino)-5-[2-[2-[2-[2-[2-[2-[[5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 123369218
16-[[4-[2-[2-[3-[2-[2-[3-[[5,6-bis(methylamino)-6-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 145385664

Frequently Asked Questions

What is the IUPAC name of 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid?
The IUPAC name of 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid (CID 144707010) is 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid is CNC(CCC(=O)NCCCCOP(N)O)C(=O)O.
What is the InChIKey of 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid?
The InChIKey is JGSZPCXLOUNTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3O5P/c1-12-8(10(15)16)4-5-9(14)13-6-2-3-7-18-19(11)17/h8,12,17H,2-7,11H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid?
5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid has a molecular weight of 295.28 g/mol, XLogP of -0.47, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[amino(hydroxy)phosphanyl]oxybutylamino]-2-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 144707010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).