2-amino-6-cyclohexyl-7-phosphonoheptanoic acid

C13H26NO5P — CID 67928459

IUPAC2-amino-6-cyclohexyl-7-phosphonoheptanoic acid
SMILESNC(CCCC(CP(=O)(O)O)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H26NO5P/c14-12(13(15)16)8-4-7-11(9-20(17,18)19)10-5-2-1-3-6-10/h10-12H,1-9,14H2,(H,15,16)(H2,17,18,19)
InChIKeyKOWJJUCOELRYPA-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.94
Rot. Bonds8

About 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid

2-amino-6-cyclohexyl-7-phosphonoheptanoic acid (PubChem CID 67928459) has the molecular formula C13H26NO5P and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid.

Molecular Properties

Compound Name2-amino-6-cyclohexyl-7-phosphonoheptanoic acid
PubChem CID67928459
Molecular FormulaC13H26NO5P
Molecular Weight307.33 g/mol
Exact Mass307.15
IUPAC Name2-amino-6-cyclohexyl-7-phosphonoheptanoic acid
SMILESNC(CCCC(CP(=O)(O)O)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H26NO5P/c14-12(13(15)16)8-4-7-11(9-20(17,18)19)10-5-2-1-3-6-10/h10-12H,1-9,14H2,(H,15,16)(H2,17,18,19)
InChIKeyKOWJJUCOELRYPA-UHFFFAOYSA-N
XLogP1.94
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.94
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

2,6-diaminoheptanedioic acid
CID 865
2-amino-4-cyclohexylhexanoic acid
CID 19433409
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid
CID 123257108
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
CID 24794417
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
(4-amino-1-cyclohexylbutyl)phosphonic acid
CID 150102027
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
2-amino-5-cyclobutyl-4-methylhexanoic acid
CID 174468126
2-amino-3-(1-cyclohexylpropylamino)propanoic acid
CID 103249979

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid?
The IUPAC name of 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid (CID 67928459) is 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid.
What is the SMILES notation for 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid?
The canonical SMILES for 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid is NC(CCCC(CP(=O)(O)O)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid?
The InChIKey is KOWJJUCOELRYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO5P/c14-12(13(15)16)8-4-7-11(9-20(17,18)19)10-5-2-1-3-6-10/h10-12H,1-9,14H2,(H,15,16)(H2,17,18,19).
What are the key properties of 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid?
2-amino-6-cyclohexyl-7-phosphonoheptanoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclohexyl-7-phosphonoheptanoic acid is sourced from PubChem (CID 67928459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).