[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium

C11H22N2O6P+ — CID 88888094

IUPAC[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium
SMILESCC(C)OC(=O)[C@H](CO[P+](=O)O)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H21N2O6P/c1-6(2)9(12)10(14)13-8(5-18-20(16)17)11(15)19-7(3)4/h6-9H,5,12H2,1-4H3,(H-,13,14,16,17)/p+1/t8-,9-/m0/s1
InChIKeyWGUJFGATAYNMRA-IUCAKERBSA-O
MW309.28 g/mol
LogP0.07
Rot. Bonds8

About [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium

[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium (PubChem CID 88888094) has the molecular formula C11H22N2O6P+ and a molecular weight of 309.28 g/mol. Its IUPAC name is [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium
PubChem CID88888094
Molecular FormulaC11H22N2O6P+
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC Name[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium
SMILESCC(C)OC(=O)[C@H](CO[P+](=O)O)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H21N2O6P/c1-6(2)9(12)10(14)13-8(5-18-20(16)17)11(15)19-7(3)4/h6-9H,5,12H2,1-4H3,(H-,13,14,16,17)/p+1/t8-,9-/m0/s1
InChIKeyWGUJFGATAYNMRA-IUCAKERBSA-O
XLogP0.07
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium with MolForge

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Related Compounds

propan-2-yl (2R)-3-[(2S)-2-amino-3-methylbutanoyl]sulfanyl-2-(2-methylpropanoylamino)propanoate
CID 118527149
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
propan-2-yl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoate
CID 119326001
benzyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoate;hydrochloride
CID 139783706
2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18232414
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoate;hydrochloride
CID 67718842
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 145458879
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
3-amino-4-oxo-4-[(1-oxo-1-propan-2-yloxyhexan-2-yl)amino]butanoic acid
CID 174221297

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium (CID 88888094) is [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium is CC(C)OC(=O)[C@H](CO[P+](=O)O)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium?
The InChIKey is WGUJFGATAYNMRA-IUCAKERBSA-O. The full InChI is InChI=1S/C11H21N2O6P/c1-6(2)9(12)10(14)13-8(5-18-20(16)17)11(15)19-7(3)4/h6-9H,5,12H2,1-4H3,(H-,13,14,16,17)/p+1/t8-,9-/m0/s1.
What are the key properties of [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium?
[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium has a molecular weight of 309.28 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 88888094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).