2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid

C12H24NO5P — CID 54150892

IUPAC2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid
SMILESCC1CCC(C(C)C)C(NCC(=O)O)(P(=O)(O)O)C1
InChIInChI=1S/C12H24NO5P/c1-8(2)10-5-4-9(3)6-12(10,19(16,17)18)13-7-11(14)15/h8-10,13H,4-7H2,1-3H3,(H,14,15)(H2,16,17,18)
InChIKeyOHQUHIQUXPIEBK-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.63
Rot. Bonds5

About 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid

2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid (PubChem CID 54150892) has the molecular formula C12H24NO5P and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid
PubChem CID54150892
Molecular FormulaC12H24NO5P
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid
SMILESCC1CCC(C(C)C)C(NCC(=O)O)(P(=O)(O)O)C1
InChIInChI=1S/C12H24NO5P/c1-8(2)10-5-4-9(3)6-12(10,19(16,17)18)13-7-11(14)15/h8-10,13H,4-7H2,1-3H3,(H,14,15)(H2,16,17,18)
InChIKeyOHQUHIQUXPIEBK-UHFFFAOYSA-N
XLogP1.63
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
1-(2-amino-2-oxoethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66599643
1-(2-azidoethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66189204
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54891328
1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441
2-[1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
CID 65233567
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid (CID 54150892) is 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid is CC1CCC(C(C)C)C(NCC(=O)O)(P(=O)(O)O)C1.
What is the InChIKey of 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid?
The InChIKey is OHQUHIQUXPIEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO5P/c1-8(2)10-5-4-9(3)6-12(10,19(16,17)18)13-7-11(14)15/h8-10,13H,4-7H2,1-3H3,(H,14,15)(H2,16,17,18).
What are the key properties of 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid?
2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid has a molecular weight of 293.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 54150892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).