[[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid

C7H17N2O4P — CID 142100143

IUPAC[[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
SMILESCC(C)N(O)C(=O)CNCP(C)(=O)O
InChIInChI=1S/C7H17N2O4P/c1-6(2)9(11)7(10)4-8-5-14(3,12)13/h6,8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyKLVKVRWZMPHAGO-UHFFFAOYSA-N
MW224.20 g/mol
LogP0.06
Rot. Bonds5

About [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid

[[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid (PubChem CID 142100143) has the molecular formula C7H17N2O4P and a molecular weight of 224.20 g/mol. Its IUPAC name is [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
PubChem CID142100143
Molecular FormulaC7H17N2O4P
Molecular Weight224.20 g/mol
Exact Mass224.09
IUPAC Name[[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
SMILESCC(C)N(O)C(=O)CNCP(C)(=O)O
InChIInChI=1S/C7H17N2O4P/c1-6(2)9(11)7(10)4-8-5-14(3,12)13/h6,8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyKLVKVRWZMPHAGO-UHFFFAOYSA-N
XLogP0.06
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
The IUPAC name of [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid (CID 142100143) is [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid.
What is the SMILES notation for [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
The canonical SMILES for [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid is CC(C)N(O)C(=O)CNCP(C)(=O)O.
What is the InChIKey of [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
The InChIKey is KLVKVRWZMPHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O4P/c1-6(2)9(11)7(10)4-8-5-14(3,12)13/h6,8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
[[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid has a molecular weight of 224.20 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[hydroxy(propan-2-yl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid is sourced from PubChem (CID 142100143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).