(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid

C8H18NO5P — CID 57391947

IUPAC(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid
SMILESCC(C)C[C@@H](OP(=O)(O)[C@H](C)N)C(=O)O
InChIInChI=1S/C8H18NO5P/c1-5(2)4-7(8(10)11)14-15(12,13)6(3)9/h5-7H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1
InChIKeyDXRMWDBZFDKWJR-RNFRBKRXSA-N
MW239.21 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid

(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid (PubChem CID 57391947) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid
PubChem CID57391947
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid
SMILESCC(C)C[C@@H](OP(=O)(O)[C@H](C)N)C(=O)O
InChIInChI=1S/C8H18NO5P/c1-5(2)4-7(8(10)11)14-15(12,13)6(3)9/h5-7H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1
InChIKeyDXRMWDBZFDKWJR-RNFRBKRXSA-N
XLogP0.99
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid (CID 57391947) is (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid is CC(C)C[C@@H](OP(=O)(O)[C@H](C)N)C(=O)O.
What is the InChIKey of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid?
The InChIKey is DXRMWDBZFDKWJR-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H18NO5P/c1-5(2)4-7(8(10)11)14-15(12,13)6(3)9/h5-7H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid?
(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid has a molecular weight of 239.21 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxy-4-methylpentanoic acid is sourced from PubChem (CID 57391947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).