[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium

C10H19N3O5P+ — CID 90242917

IUPAC[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium
SMILESCC(NC(=O)C(N)CC[P+](=O)O)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C10H18N3O5P/c1-6(5-14)12-9(15)7(2)13-10(16)8(11)3-4-19(17)18/h5-8H,3-4,11H2,1-2H3,(H2-,12,13,15,16,17,18)/p+1/t6-,7?,8?/m0/s1
InChIKeyBTVRHLUPKDXKNS-KKMMWDRVSA-O
MW292.25 g/mol
LogP-1.35
Rot. Bonds8

About [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium

[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium (PubChem CID 90242917) has the molecular formula C10H19N3O5P+ and a molecular weight of 292.25 g/mol. Its IUPAC name is [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium
PubChem CID90242917
Molecular FormulaC10H19N3O5P+
Molecular Weight292.25 g/mol
Exact Mass292.11
IUPAC Name[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium
SMILESCC(NC(=O)C(N)CC[P+](=O)O)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C10H18N3O5P/c1-6(5-14)12-9(15)7(2)13-10(16)8(11)3-4-19(17)18/h5-8H,3-4,11H2,1-2H3,(H2-,12,13,15,16,17,18)/p+1/t6-,7?,8?/m0/s1
InChIKeyBTVRHLUPKDXKNS-KKMMWDRVSA-O
XLogP-1.35
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium?
The IUPAC name of [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium (CID 90242917) is [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium?
The canonical SMILES for [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium is CC(NC(=O)C(N)CC[P+](=O)O)C(=O)N[C@@H](C)C=O.
What is the InChIKey of [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium?
The InChIKey is BTVRHLUPKDXKNS-KKMMWDRVSA-O. The full InChI is InChI=1S/C10H18N3O5P/c1-6(5-14)12-9(15)7(2)13-10(16)8(11)3-4-19(17)18/h5-8H,3-4,11H2,1-2H3,(H2-,12,13,15,16,17,18)/p+1/t6-,7?,8?/m0/s1.
What are the key properties of [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium?
[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium has a molecular weight of 292.25 g/mol, XLogP of -1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 90242917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).