[(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium

C9H15NO7P+ — CID 91937087

IUPAC[(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium
SMILESN[C@@H](CC[P+](O)(O)C(=O)C1CC1C(=O)O)C(=O)O
InChIInChI=1S/C9H14NO7P/c10-6(8(13)14)1-2-18(16,17)9(15)5-3-4(5)7(11)12/h4-6,16-17H,1-3,10H2,(H-,11,12,13,14)/p+1/t4?,5?,6-/m0/s1
InChIKeyARSWSBRRAVGDOG-WRVKLSGPSA-O
MW280.19 g/mol
LogP-1.13
Rot. Bonds7

About [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium

[(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium (PubChem CID 91937087) has the molecular formula C9H15NO7P+ and a molecular weight of 280.19 g/mol. Its IUPAC name is [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium.

Molecular Properties

Compound Name[(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium
PubChem CID91937087
Molecular FormulaC9H15NO7P+
Molecular Weight280.19 g/mol
Exact Mass280.06
IUPAC Name[(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium
SMILESN[C@@H](CC[P+](O)(O)C(=O)C1CC1C(=O)O)C(=O)O
InChIInChI=1S/C9H14NO7P/c10-6(8(13)14)1-2-18(16,17)9(15)5-3-4(5)7(11)12/h4-6,16-17H,1-3,10H2,(H-,11,12,13,14)/p+1/t4?,5?,6-/m0/s1
InChIKeyARSWSBRRAVGDOG-WRVKLSGPSA-O
XLogP-1.13
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium?
The IUPAC name of [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium (CID 91937087) is [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium.
What is the SMILES notation for [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium?
The canonical SMILES for [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium is N[C@@H](CC[P+](O)(O)C(=O)C1CC1C(=O)O)C(=O)O.
What is the InChIKey of [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium?
The InChIKey is ARSWSBRRAVGDOG-WRVKLSGPSA-O. The full InChI is InChI=1S/C9H14NO7P/c10-6(8(13)14)1-2-18(16,17)9(15)5-3-4(5)7(11)12/h4-6,16-17H,1-3,10H2,(H-,11,12,13,14)/p+1/t4?,5?,6-/m0/s1.
What are the key properties of [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium?
[(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium has a molecular weight of 280.19 g/mol, XLogP of -1.13, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-3-carboxypropyl]-(2-carboxycyclopropanecarbonyl)-dihydroxyphosphanium is sourced from PubChem (CID 91937087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).