[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid

C6H16NO3P — CID 7167688

IUPAC[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
SMILESCC(C)C[C@@](C)(N)P(=O)(O)O
InChIInChI=1S/C6H16NO3P/c1-5(2)4-6(3,7)11(8,9)10/h5H,4,7H2,1-3H3,(H2,8,9,10)/t6-/m0/s1
InChIKeyZMCSAWFDSMTWOD-LURJTMIESA-N
MW181.17 g/mol
LogP0.89
Rot. Bonds3

About [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid

[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid (PubChem CID 7167688) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
PubChem CID7167688
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
SMILESCC(C)C[C@@](C)(N)P(=O)(O)O
InChIInChI=1S/C6H16NO3P/c1-5(2)4-6(3,7)11(8,9)10/h5H,4,7H2,1-3H3,(H2,8,9,10)/t6-/m0/s1
InChIKeyZMCSAWFDSMTWOD-LURJTMIESA-N
XLogP0.89
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
(2-amino-1-hydroxypropan-2-yl)phosphonic acid
CID 22262973
(2-amino-16-methylheptadecan-2-yl)phosphonic acid
CID 146558699
(2-amino-1-chloropropan-2-yl)phosphonic acid
CID 87518546
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
2,5-diaminopentan-2-ylphosphonic acid
CID 86124340
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid
CID 143939571
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
(4S)-4-amino-4,6-dimethylheptan-3-one
CID 138509881
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355
3,3,5-trimethyl-2-methylidenehexanamide
CID 139781680

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid?
The IUPAC name of [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid (CID 7167688) is [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid.
What is the SMILES notation for [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid?
The canonical SMILES for [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid is CC(C)C[C@@](C)(N)P(=O)(O)O.
What is the InChIKey of [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid?
The InChIKey is ZMCSAWFDSMTWOD-LURJTMIESA-N. The full InChI is InChI=1S/C6H16NO3P/c1-5(2)4-6(3,7)11(8,9)10/h5H,4,7H2,1-3H3,(H2,8,9,10)/t6-/m0/s1.
What are the key properties of [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid?
[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid has a molecular weight of 181.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid is sourced from PubChem (CID 7167688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).