(E,2R)-2-amino-7-phosphonohept-3-enoic acid

C7H14NO5P — CID 88508783

IUPAC(E,2R)-2-amino-7-phosphonohept-3-enoic acid
SMILESN[C@H](/C=C/CCCP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H14NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h2,4,6H,1,3,5,8H2,(H,9,10)(H2,11,12,13)/b4-2+/t6-/m1/s1
InChIKeyPXEMFROPBWDOOK-QMVXTRQFSA-N
MW223.16 g/mol
LogP-0.09
Rot. Bonds6

About (E,2R)-2-amino-7-phosphonohept-3-enoic acid

(E,2R)-2-amino-7-phosphonohept-3-enoic acid (PubChem CID 88508783) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is (E,2R)-2-amino-7-phosphonohept-3-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-amino-7-phosphonohept-3-enoic acid
PubChem CID88508783
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name(E,2R)-2-amino-7-phosphonohept-3-enoic acid
SMILESN[C@H](/C=C/CCCP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H14NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h2,4,6H,1,3,5,8H2,(H,9,10)(H2,11,12,13)/b4-2+/t6-/m1/s1
InChIKeyPXEMFROPBWDOOK-QMVXTRQFSA-N
XLogP-0.09
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
1,6-diphosphonohex-2-enylphosphonic acid
CID 140959845
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
(E,2R)-2-amino-4-methyl-7-phosphonohept-3-enoic acid
CID 88509040
(Z,2S)-2-amino-7-(1-aminoethylideneamino)hept-3-enoic acid;dihydrochloride
CID 172867749
CID 20576804
CID 20576804
(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid
CID 19764885
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
(2S,3Z)-2-aminohexa-3,5-dienoic acid
CID 11018881
(E,2R)-2-amino-7-[[4-(carboxymethyl)piperazine-1-carbonyl]amino]hept-3-enoic acid
CID 176553771
5-amino-4-oxoundec-6-enoic acid
CID 173122759

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-7-phosphonohept-3-enoic acid?
The IUPAC name of (E,2R)-2-amino-7-phosphonohept-3-enoic acid (CID 88508783) is (E,2R)-2-amino-7-phosphonohept-3-enoic acid.
What is the SMILES notation for (E,2R)-2-amino-7-phosphonohept-3-enoic acid?
The canonical SMILES for (E,2R)-2-amino-7-phosphonohept-3-enoic acid is N[C@H](/C=C/CCCP(=O)(O)O)C(=O)O.
What is the InChIKey of (E,2R)-2-amino-7-phosphonohept-3-enoic acid?
The InChIKey is PXEMFROPBWDOOK-QMVXTRQFSA-N. The full InChI is InChI=1S/C7H14NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h2,4,6H,1,3,5,8H2,(H,9,10)(H2,11,12,13)/b4-2+/t6-/m1/s1.
What are the key properties of (E,2R)-2-amino-7-phosphonohept-3-enoic acid?
(E,2R)-2-amino-7-phosphonohept-3-enoic acid has a molecular weight of 223.16 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-amino-7-phosphonohept-3-enoic acid is sourced from PubChem (CID 88508783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).