2-amino-4-methyl-5-phosphononon-3-enoic acid

C10H20NO5P — CID 175126578

IUPAC2-amino-4-methyl-5-phosphononon-3-enoic acid
SMILESCCCCC(C(C)=CC(N)C(=O)O)P(=O)(O)O
InChIInChI=1S/C10H20NO5P/c1-3-4-5-9(17(14,15)16)7(2)6-8(11)10(12)13/h6,8-9H,3-5,11H2,1-2H3,(H,12,13)(H2,14,15,16)
InChIKeyLSHJMUFPBRCFRF-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.08
Rot. Bonds7

About 2-amino-4-methyl-5-phosphononon-3-enoic acid

2-amino-4-methyl-5-phosphononon-3-enoic acid (PubChem CID 175126578) has the molecular formula C10H20NO5P and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-amino-4-methyl-5-phosphononon-3-enoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-5-phosphononon-3-enoic acid
PubChem CID175126578
Molecular FormulaC10H20NO5P
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name2-amino-4-methyl-5-phosphononon-3-enoic acid
SMILESCCCCC(C(C)=CC(N)C(=O)O)P(=O)(O)O
InChIInChI=1S/C10H20NO5P/c1-3-4-5-9(17(14,15)16)7(2)6-8(11)10(12)13/h6,8-9H,3-5,11H2,1-2H3,(H,12,13)(H2,14,15,16)
InChIKeyLSHJMUFPBRCFRF-UHFFFAOYSA-N
XLogP1.08
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-amino-4-(phosphonomethyl)oct-3-enoic acid
CID 88508906
(1-ethoxy-1-oxohexan-2-yl)phosphonic acid
CID 57168391
2-phosphonodecanoic acid
CID 5092142
(E,2R)-2-amino-4-methyl-7-phosphonohept-3-enoic acid
CID 88509040
(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
CID 171319241
(1-methoxy-1-oxoundecan-2-yl)phosphonic acid
CID 58108348
(2S)-2-amino-3-hydroxyheptanoic acid
CID 139775906
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(1-amino-1-oxohexan-2-yl) dihydrogen phosphate
CID 141187806
hexan-2-amine;phosphoric acid;propane
CID 175129773
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-phosphononon-3-enoic acid?
The IUPAC name of 2-amino-4-methyl-5-phosphononon-3-enoic acid (CID 175126578) is 2-amino-4-methyl-5-phosphononon-3-enoic acid.
What is the SMILES notation for 2-amino-4-methyl-5-phosphononon-3-enoic acid?
The canonical SMILES for 2-amino-4-methyl-5-phosphononon-3-enoic acid is CCCCC(C(C)=CC(N)C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-amino-4-methyl-5-phosphononon-3-enoic acid?
The InChIKey is LSHJMUFPBRCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO5P/c1-3-4-5-9(17(14,15)16)7(2)6-8(11)10(12)13/h6,8-9H,3-5,11H2,1-2H3,(H,12,13)(H2,14,15,16).
What are the key properties of 2-amino-4-methyl-5-phosphononon-3-enoic acid?
2-amino-4-methyl-5-phosphononon-3-enoic acid has a molecular weight of 265.25 g/mol, XLogP of 1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-phosphononon-3-enoic acid is sourced from PubChem (CID 175126578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).