2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid

C7H18N2O7P2 — CID 88813695

IUPAC2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid
SMILESCC(C)(NC(=O)NC(C)(C)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H18N2O7P2/c1-6(2,17(11,12)13)8-5(10)9-7(3,4)18(14,15)16/h1-4H3,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKeyLVXOHAWGCWLXKR-UHFFFAOYSA-N
MW304.18 g/mol
LogP0.11
Rot. Bonds4

About 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid

2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid (PubChem CID 88813695) has the molecular formula C7H18N2O7P2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid.

Molecular Properties

Compound Name2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid
PubChem CID88813695
Molecular FormulaC7H18N2O7P2
Molecular Weight304.18 g/mol
Exact Mass304.06
IUPAC Name2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid
SMILESCC(C)(NC(=O)NC(C)(C)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H18N2O7P2/c1-6(2,17(11,12)13)8-5(10)9-7(3,4)18(14,15)16/h1-4H3,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKeyLVXOHAWGCWLXKR-UHFFFAOYSA-N
XLogP0.11
TPSA156.19 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 50.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroethylphosphonic acid
CID 23183684
2-[5-(2-phosphonopropan-2-ylamino)pentylamino]propan-2-ylphosphonic acid
CID 23422851
[2,2-dichloro-1-(2,2-dimethylpropanoylamino)ethenyl]phosphonic acid
CID 3239295
2-(methoxycarbonylamino)-2-phosphonopropanoic acid
CID 173280399
(2-chloro-1-methoxy-1-oxopropan-2-yl)phosphonic acid
CID 154585130
1-tert-butyl-3-(2-iodopropan-2-yl)urea
CID 130444075
trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
[3-methyl-3-(2-methylprop-2-enoylamino)butyl]phosphonic acid
CID 87771282
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid
CID 59871533
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
CID 107867920

Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid?
The IUPAC name of 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid (CID 88813695) is 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid.
What is the SMILES notation for 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid?
The canonical SMILES for 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid is CC(C)(NC(=O)NC(C)(C)P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid?
The InChIKey is LVXOHAWGCWLXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O7P2/c1-6(2,17(11,12)13)8-5(10)9-7(3,4)18(14,15)16/h1-4H3,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16).
What are the key properties of 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid?
2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid has a molecular weight of 304.18 g/mol, XLogP of 0.11, 4 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphonopropan-2-ylcarbamoylamino)propan-2-ylphosphonic acid is sourced from PubChem (CID 88813695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).