2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid

C11H22NO5P — CID 21299180

IUPAC2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid
SMILESCCC(N)(C(=O)O)C1CCC(CP(=O)(O)O)CC1
InChIInChI=1S/C11H22NO5P/c1-2-11(12,10(13)14)9-5-3-8(4-6-9)7-18(15,16)17/h8-9H,2-7,12H2,1H3,(H,13,14)(H2,15,16,17)
InChIKeyLNEASMYDEHHFMC-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.16
Rot. Bonds5

About 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid

2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid (PubChem CID 21299180) has the molecular formula C11H22NO5P and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid.

Molecular Properties

Compound Name2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid
PubChem CID21299180
Molecular FormulaC11H22NO5P
Molecular Weight279.27 g/mol
Exact Mass279.12
IUPAC Name2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid
SMILESCCC(N)(C(=O)O)C1CCC(CP(=O)(O)O)CC1
InChIInChI=1S/C11H22NO5P/c1-2-11(12,10(13)14)9-5-3-8(4-6-9)7-18(15,16)17/h8-9H,2-7,12H2,1H3,(H,13,14)(H2,15,16,17)
InChIKeyLNEASMYDEHHFMC-UHFFFAOYSA-N
XLogP1.16
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propanoic acid
CID 63909323
cyclohexylmethylphosphonic acid;hydrate
CID 70153007
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435
potassium;cyclohexylmethylphosphonic acid;hydride
CID 173417626
2-amino-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 63921124
2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid
CID 63919758
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
CID 79426228
2,2-dicyclopropylbutanoic acid
CID 139618787
2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
CID 66321825
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid?
The IUPAC name of 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid (CID 21299180) is 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid.
What is the SMILES notation for 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid?
The canonical SMILES for 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid is CCC(N)(C(=O)O)C1CCC(CP(=O)(O)O)CC1.
What is the InChIKey of 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid?
The InChIKey is LNEASMYDEHHFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO5P/c1-2-11(12,10(13)14)9-5-3-8(4-6-9)7-18(15,16)17/h8-9H,2-7,12H2,1H3,(H,13,14)(H2,15,16,17).
What are the key properties of 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid?
2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid has a molecular weight of 279.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(phosphonomethyl)cyclohexyl]butanoic acid is sourced from PubChem (CID 21299180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).