1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid

C6H10NO5P — CID 10262421

IUPAC1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid
SMILESNC1(C(=O)O)CC=C(P(=O)(O)O)C1
InChIInChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12)
InChIKeyBXQQPSDBGNFWBV-UHFFFAOYSA-N
MW207.12 g/mol
LogP-0.38
Rot. Bonds2

About 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid

1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid (PubChem CID 10262421) has the molecular formula C6H10NO5P and a molecular weight of 207.12 g/mol. Its IUPAC name is 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid
PubChem CID10262421
Molecular FormulaC6H10NO5P
Molecular Weight207.12 g/mol
Exact Mass207.03
IUPAC Name1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid
SMILESNC1(C(=O)O)CC=C(P(=O)(O)O)C1
InChIInChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12)
InChIKeyBXQQPSDBGNFWBV-UHFFFAOYSA-N
XLogP-0.38
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid (CID 10262421) is 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid is NC1(C(=O)O)CC=C(P(=O)(O)O)C1.
What is the InChIKey of 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid?
The InChIKey is BXQQPSDBGNFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12).
What are the key properties of 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid?
1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid has a molecular weight of 207.12 g/mol, XLogP of -0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phosphonocyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 10262421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).