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

C8H19N2O4P — CID 57391510

IUPAC(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NP(=O)(O)[C@H](C)N)C(=O)O
InChIInChI=1S/C8H19N2O4P/c1-5(2)4-7(8(11)12)10-15(13,14)6(3)9/h5-7H,4,9H2,1-3H3,(H,11,12)(H2,10,13,14)/t6-,7-/m1/s1
InChIKeyOFMYRIJQCHEXJJ-RNFRBKRXSA-N
MW238.22 g/mol
LogP0.57
Rot. Bonds6

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

(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid (PubChem CID 57391510) has the molecular formula C8H19N2O4P and a molecular weight of 238.22 g/mol. Its IUPAC name is (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid
PubChem CID57391510
Molecular FormulaC8H19N2O4P
Molecular Weight238.22 g/mol
Exact Mass238.11
IUPAC Name(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NP(=O)(O)[C@H](C)N)C(=O)O
InChIInChI=1S/C8H19N2O4P/c1-5(2)4-7(8(11)12)10-15(13,14)6(3)9/h5-7H,4,9H2,1-3H3,(H,11,12)(H2,10,13,14)/t6-,7-/m1/s1
InChIKeyOFMYRIJQCHEXJJ-RNFRBKRXSA-N
XLogP0.57
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
CID 175756244
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299
(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide
CID 59929035
2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18232414
(2S)-4-methyl-2-(methylsulfanylamino)pentanoic acid
CID 142463410
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid (CID 57391510) is (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NP(=O)(O)[C@H](C)N)C(=O)O.
What is the InChIKey of (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid?
The InChIKey is OFMYRIJQCHEXJJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H19N2O4P/c1-5(2)4-7(8(11)12)10-15(13,14)6(3)9/h5-7H,4,9H2,1-3H3,(H,11,12)(H2,10,13,14)/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid?
(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid has a molecular weight of 238.22 g/mol, XLogP of 0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 57391510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).