3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid

C6H14NO4P — CID 4834928

IUPAC3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid
SMILESCC(CP(=O)(O)CCN)C(=O)O
InChIInChI=1S/C6H14NO4P/c1-5(6(8)9)4-12(10,11)3-2-7/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyKQEQKGOSHKYPSZ-UHFFFAOYSA-N
MW195.15 g/mol
LogP-0.06
Rot. Bonds5

About 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid

3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid (PubChem CID 4834928) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid
PubChem CID4834928
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid
SMILESCC(CP(=O)(O)CCN)C(=O)O
InChIInChI=1S/C6H14NO4P/c1-5(6(8)9)4-12(10,11)3-2-7/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyKQEQKGOSHKYPSZ-UHFFFAOYSA-N
XLogP-0.06
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(pentyl)phosphoryl]-2-methylpropanoic acid
CID 87093840
3-[hydroxy(2-phenylethyl)phosphoryl]-2-methylpropanoic acid
CID 46213969
3-[hydroxy(2-methylpentyl)phosphoryl]-2-methylpropanoic acid
CID 54512413
3-[hydroxy(1-hydroxyethyl)phosphoryl]-2-methylpropanoic acid
CID 87093824
4-amino-2-methylbutanoic acid
CID 3759025
3-dimethoxyphosphoryl-2-methylpropanoic acid
CID 88734508
2-aminoethylphosphonic acid;oxalic acid
CID 87621016
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
CID 163867560
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid (CID 4834928) is 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid is CC(CP(=O)(O)CCN)C(=O)O.
What is the InChIKey of 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid?
The InChIKey is KQEQKGOSHKYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-5(6(8)9)4-12(10,11)3-2-7/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid?
3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid has a molecular weight of 195.15 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(hydroxy)phosphoryl]-2-methylpropanoic acid is sourced from PubChem (CID 4834928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).