[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid

C14H28NO4P — CID 159076279

IUPAC[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid
SMILESC[C@H](N)C(=O)CC[C@@H](O)CP(=O)(O)CC1CCCCC1
InChIInChI=1S/C14H28NO4P/c1-11(15)14(17)8-7-13(16)10-20(18,19)9-12-5-3-2-4-6-12/h11-13,16H,2-10,15H2,1H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyKAHFWVINSMWYKU-WCQYABFASA-N
MW305.35 g/mol
LogP1.89
Rot. Bonds8

About [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid

[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid (PubChem CID 159076279) has the molecular formula C14H28NO4P and a molecular weight of 305.35 g/mol. Its IUPAC name is [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid.

Molecular Properties

Compound Name[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid
PubChem CID159076279
Molecular FormulaC14H28NO4P
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid
SMILESC[C@H](N)C(=O)CC[C@@H](O)CP(=O)(O)CC1CCCCC1
InChIInChI=1S/C14H28NO4P/c1-11(15)14(17)8-7-13(16)10-20(18,19)9-12-5-3-2-4-6-12/h11-13,16H,2-10,15H2,1H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyKAHFWVINSMWYKU-WCQYABFASA-N
XLogP1.89
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-7-methyl-5-oxooctyl]phosphinic acid
CID 157334887
[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11573547
(2S)-2-[[(2R)-2-amino-5-[[(2R)-3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 11647743
[(2S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 66594730
(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
CID 59011201
[(2R)-3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11661400
[(2R)-3-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11502956
cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid
CID 160567460
[(2S)-3-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 66594939
[(2R)-3-[[(2S)-2-arsanyl-4-methylpentanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 172997238
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250
3-[(1R)-1-[[(2R)-3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
CID 67565926

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid?
The IUPAC name of [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid (CID 159076279) is [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid.
What is the SMILES notation for [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid?
The canonical SMILES for [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid is C[C@H](N)C(=O)CC[C@@H](O)CP(=O)(O)CC1CCCCC1.
What is the InChIKey of [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid?
The InChIKey is KAHFWVINSMWYKU-WCQYABFASA-N. The full InChI is InChI=1S/C14H28NO4P/c1-11(15)14(17)8-7-13(16)10-20(18,19)9-12-5-3-2-4-6-12/h11-13,16H,2-10,15H2,1H3,(H,18,19)/t11-,13+/m0/s1.
What are the key properties of [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid?
[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid has a molecular weight of 305.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid is sourced from PubChem (CID 159076279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).