1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid

C6H12NO5P — CID 57339971

IUPAC1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid
SMILESCC1(CP(=O)(O)O)CC1(N)C(=O)O
InChIInChI=1S/C6H12NO5P/c1-5(3-13(10,11)12)2-6(5,7)4(8)9/h2-3,7H2,1H3,(H,8,9)(H2,10,11,12)
InChIKeyVKGBEJPFZRAXTN-UHFFFAOYSA-N
MW209.14 g/mol
LogP-0.64
Rot. Bonds3

About 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid

1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid (PubChem CID 57339971) has the molecular formula C6H12NO5P and a molecular weight of 209.14 g/mol. Its IUPAC name is 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid
PubChem CID57339971
Molecular FormulaC6H12NO5P
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid
SMILESCC1(CP(=O)(O)O)CC1(N)C(=O)O
InChIInChI=1S/C6H12NO5P/c1-5(3-13(10,11)12)2-6(5,7)4(8)9/h2-3,7H2,1H3,(H,8,9)(H2,10,11,12)
InChIKeyVKGBEJPFZRAXTN-UHFFFAOYSA-N
XLogP-0.64
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 5-0.64
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-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid (CID 57339971) is 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid is CC1(CP(=O)(O)O)CC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid?
The InChIKey is VKGBEJPFZRAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO5P/c1-5(3-13(10,11)12)2-6(5,7)4(8)9/h2-3,7H2,1H3,(H,8,9)(H2,10,11,12).
What are the key properties of 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid?
1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid has a molecular weight of 209.14 g/mol, XLogP of -0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-2-(phosphonomethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57339971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).