[2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium

C11H21N3O6P+ — CID 88517378

IUPAC[2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium
SMILESCCC[C@](N)(C(=O)NC(C[P+](=O)O)C(=O)O)C(=O)[C@H](C)N
InChIInChI=1S/C11H20N3O6P/c1-3-4-11(13,8(15)6(2)12)10(18)14-7(9(16)17)5-21(19)20/h6-7H,3-5,12-13H2,1-2H3,(H2-,14,16,17,18,19,20)/p+1/t6-,7?,11+/m0/s1
InChIKeyACPJGBVDNRIRCP-NSMOOJLNSA-O
MW322.28 g/mol
LogP-1.30
Rot. Bonds9

About [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium

[2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium (PubChem CID 88517378) has the molecular formula C11H21N3O6P+ and a molecular weight of 322.28 g/mol. Its IUPAC name is [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium
PubChem CID88517378
Molecular FormulaC11H21N3O6P+
Molecular Weight322.28 g/mol
Exact Mass322.12
IUPAC Name[2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium
SMILESCCC[C@](N)(C(=O)NC(C[P+](=O)O)C(=O)O)C(=O)[C@H](C)N
InChIInChI=1S/C11H20N3O6P/c1-3-4-11(13,8(15)6(2)12)10(18)14-7(9(16)17)5-21(19)20/h6-7H,3-5,12-13H2,1-2H3,(H2-,14,16,17,18,19,20)/p+1/t6-,7?,11+/m0/s1
InChIKeyACPJGBVDNRIRCP-NSMOOJLNSA-O
XLogP-1.30
TPSA172.81 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776
(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
CID 113342300
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
(2R,4S)-2,4-diamino-2-[[[(2R,4S)-2,4-diamino-2-carboxy-3-oxopentyl]disulfanyl]methyl]-3-oxopentanoic acid
CID 88519440
2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
CID 2459
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-(2-aminopentanoylamino)-4-methylpentanoic acid
CID 5095064
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
(2R)-3-sulfanyl-2-[[3,3,3-trideuterio-2-sulfanyl-2-(trideuteriomethyl)propanoyl]amino]propanoic acid
CID 169435121
2-[[(2S)-2-aminoheptanoyl]amino]heptanoic acid
CID 121291203

Frequently Asked Questions

What is the IUPAC name of [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium?
The IUPAC name of [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium (CID 88517378) is [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium?
The canonical SMILES for [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium is CCC[C@](N)(C(=O)NC(C[P+](=O)O)C(=O)O)C(=O)[C@H](C)N.
What is the InChIKey of [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium?
The InChIKey is ACPJGBVDNRIRCP-NSMOOJLNSA-O. The full InChI is InChI=1S/C11H20N3O6P/c1-3-4-11(13,8(15)6(2)12)10(18)14-7(9(16)17)5-21(19)20/h6-7H,3-5,12-13H2,1-2H3,(H2-,14,16,17,18,19,20)/p+1/t6-,7?,11+/m0/s1.
What are the key properties of [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium?
[2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium has a molecular weight of 322.28 g/mol, XLogP of -1.30, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-carboxy-2-[[(2R,4S)-2,4-diamino-3-oxo-2-propylpentanoyl]amino]ethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 88517378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).