2-(methoxycarbonylamino)-2-phosphonopropanoic acid

C5H10NO7P — CID 173280399

IUPAC2-(methoxycarbonylamino)-2-phosphonopropanoic acid
SMILESCOC(=O)NC(C)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C5H10NO7P/c1-5(3(7)8,14(10,11)12)6-4(9)13-2/h1-2H3,(H,6,9)(H,7,8)(H2,10,11,12)
InChIKeyFSXIGBOPKLCFHQ-UHFFFAOYSA-N
MW227.11 g/mol
LogP-0.68
Rot. Bonds3

About 2-(methoxycarbonylamino)-2-phosphonopropanoic acid

2-(methoxycarbonylamino)-2-phosphonopropanoic acid (PubChem CID 173280399) has the molecular formula C5H10NO7P and a molecular weight of 227.11 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-phosphonopropanoic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-phosphonopropanoic acid
PubChem CID173280399
Molecular FormulaC5H10NO7P
Molecular Weight227.11 g/mol
Exact Mass227.02
IUPAC Name2-(methoxycarbonylamino)-2-phosphonopropanoic acid
SMILESCOC(=O)NC(C)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C5H10NO7P/c1-5(3(7)8,14(10,11)12)6-4(9)13-2/h1-2H3,(H,6,9)(H,7,8)(H2,10,11,12)
InChIKeyFSXIGBOPKLCFHQ-UHFFFAOYSA-N
XLogP-0.68
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-phosphonopropanoic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-phosphonopropanoic acid (CID 173280399) is 2-(methoxycarbonylamino)-2-phosphonopropanoic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-phosphonopropanoic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-phosphonopropanoic acid is COC(=O)NC(C)(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-(methoxycarbonylamino)-2-phosphonopropanoic acid?
The InChIKey is FSXIGBOPKLCFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO7P/c1-5(3(7)8,14(10,11)12)6-4(9)13-2/h1-2H3,(H,6,9)(H,7,8)(H2,10,11,12).
What are the key properties of 2-(methoxycarbonylamino)-2-phosphonopropanoic acid?
2-(methoxycarbonylamino)-2-phosphonopropanoic acid has a molecular weight of 227.11 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-phosphonopropanoic acid is sourced from PubChem (CID 173280399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).