(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid

C8H16NO5P — CID 171319241

IUPAC(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
SMILESCCCC(=C[C@@H](N)C(=O)O)CP(=O)(O)O
InChIInChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
InChIKeyZEFQYTSQDVUMEU-SSDOTTSWSA-N
MW237.19 g/mol
LogP0.30
Rot. Bonds6

About (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid

(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid (PubChem CID 171319241) has the molecular formula C8H16NO5P and a molecular weight of 237.19 g/mol. Its IUPAC name is (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
PubChem CID171319241
Molecular FormulaC8H16NO5P
Molecular Weight237.19 g/mol
Exact Mass237.08
IUPAC Name(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
SMILESCCCC(=C[C@@H](N)C(=O)O)CP(=O)(O)O
InChIInChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
InChIKeyZEFQYTSQDVUMEU-SSDOTTSWSA-N
XLogP0.30
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.30
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
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
(E,2R)-2-amino-4-methyl-7-phosphonohept-3-enoic acid
CID 88509040
2-amino-4-methyl-5-phosphononon-3-enoic acid
CID 175126578
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid
CID 173397788
[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
CID 88508917
2-amino-2-phosphonoacetic acid
CID 14104870
(E)-2-amino-4-(2-methylbutylideneamino)hex-3-enoic acid
CID 91443581
(E,2R)-2-amino-7-phosphonohept-3-enoic acid
CID 88508783
(2S)-2-aminopropanoic acid;bis(diphosphonomethyl)-dipropylazanium
CID 89336484

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid?
The IUPAC name of (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid (CID 171319241) is (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid.
What is the SMILES notation for (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid?
The canonical SMILES for (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid is CCCC(=C[C@@H](N)C(=O)O)CP(=O)(O)O.
What is the InChIKey of (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid?
The InChIKey is ZEFQYTSQDVUMEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid?
(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid has a molecular weight of 237.19 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid is sourced from PubChem (CID 171319241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).