5-amino-2-ethyl-3-phosphorosooxypentanoic acid

C7H14NO4P — CID 57285042

IUPAC5-amino-2-ethyl-3-phosphorosooxypentanoic acid
SMILESCCC(C(=O)O)C(CCN)OP=O
InChIInChI=1S/C7H14NO4P/c1-2-5(7(9)10)6(3-4-8)12-13-11/h5-6H,2-4,8H2,1H3,(H,9,10)
InChIKeyYQFJDHXYNUKWOP-UHFFFAOYSA-N
MW207.17 g/mol
LogP1.04
Rot. Bonds7

About 5-amino-2-ethyl-3-phosphorosooxypentanoic acid

5-amino-2-ethyl-3-phosphorosooxypentanoic acid (PubChem CID 57285042) has the molecular formula C7H14NO4P and a molecular weight of 207.17 g/mol. Its IUPAC name is 5-amino-2-ethyl-3-phosphorosooxypentanoic acid.

Molecular Properties

Compound Name5-amino-2-ethyl-3-phosphorosooxypentanoic acid
PubChem CID57285042
Molecular FormulaC7H14NO4P
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name5-amino-2-ethyl-3-phosphorosooxypentanoic acid
SMILESCCC(C(=O)O)C(CCN)OP=O
InChIInChI=1S/C7H14NO4P/c1-2-5(7(9)10)6(3-4-8)12-13-11/h5-6H,2-4,8H2,1H3,(H,9,10)
InChIKeyYQFJDHXYNUKWOP-UHFFFAOYSA-N
XLogP1.04
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2-methylbutanoyl)amino]-3-methylpentanoic acid
CID 80543638
4-amino-2-methylbutanoic acid
CID 3759025
2,3-diethyl-4-oxopentanoic acid
CID 20649735
2-(aminomethyl)-3-ethyl-4-methylhexanoic acid
CID 87760258
2-ethyl-3-(3-methylbutyl)butanedioic acid
CID 174966498
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923
2-ethyl-3-methoxybutanoic acid
CID 54291806
3-methyl-2-propylpentanoic acid
CID 54305821
(2R)-2,5-diamino-3-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 150012151
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-3-phosphorosooxypentanoic acid?
The IUPAC name of 5-amino-2-ethyl-3-phosphorosooxypentanoic acid (CID 57285042) is 5-amino-2-ethyl-3-phosphorosooxypentanoic acid.
What is the SMILES notation for 5-amino-2-ethyl-3-phosphorosooxypentanoic acid?
The canonical SMILES for 5-amino-2-ethyl-3-phosphorosooxypentanoic acid is CCC(C(=O)O)C(CCN)OP=O.
What is the InChIKey of 5-amino-2-ethyl-3-phosphorosooxypentanoic acid?
The InChIKey is YQFJDHXYNUKWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO4P/c1-2-5(7(9)10)6(3-4-8)12-13-11/h5-6H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 5-amino-2-ethyl-3-phosphorosooxypentanoic acid?
5-amino-2-ethyl-3-phosphorosooxypentanoic acid has a molecular weight of 207.17 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-3-phosphorosooxypentanoic acid is sourced from PubChem (CID 57285042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).