2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid

C11H14NO5P — CID 2878

IUPAC2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
SMILESNC(C(=O)O)(c1ccc(P(=O)(O)O)cc1)C1CC1
InChIInChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)
InChIKeyIGODGTDUQSMDQU-UHFFFAOYSA-N
MW271.21 g/mol
LogP0.14
Rot. Bonds4

About 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid

2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid (PubChem CID 2878) has the molecular formula C11H14NO5P and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
PubChem CID2878
Molecular FormulaC11H14NO5P
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
SMILESNC(C(=O)O)(c1ccc(P(=O)(O)O)cc1)C1CC1
InChIInChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)
InChIKeyIGODGTDUQSMDQU-UHFFFAOYSA-N
XLogP0.14
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid?
The IUPAC name of 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid (CID 2878) is 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid is NC(C(=O)O)(c1ccc(P(=O)(O)O)cc1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid?
The InChIKey is IGODGTDUQSMDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17).
What are the key properties of 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid?
2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid has a molecular weight of 271.21 g/mol, XLogP of 0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid is sourced from PubChem (CID 2878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).