2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid

C9H21N2O2P — CID 137466268

IUPAC2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid
SMILESCC(CC(C)(C)CNP)C(N)C(=O)O
InChIInChI=1S/C9H21N2O2P/c1-6(7(10)8(12)13)4-9(2,3)5-11-14/h6-7,11H,4-5,10,14H2,1-3H3,(H,12,13)
InChIKeyNSNZZTRQPKAFRL-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.83
Rot. Bonds6

About 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid

2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid (PubChem CID 137466268) has the molecular formula C9H21N2O2P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid
PubChem CID137466268
Molecular FormulaC9H21N2O2P
Molecular Weight220.25 g/mol
Exact Mass220.13
IUPAC Name2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid
SMILESCC(CC(C)(C)CNP)C(N)C(=O)O
InChIInChI=1S/C9H21N2O2P/c1-6(7(10)8(12)13)4-9(2,3)5-11-14/h6-7,11H,4-5,10,14H2,1-3H3,(H,12,13)
InChIKeyNSNZZTRQPKAFRL-UHFFFAOYSA-N
XLogP0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
2-amino-3-methyl-5-selanylpentanoic acid
CID 173165921
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
CID 57426035
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid?
The IUPAC name of 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid (CID 137466268) is 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid.
What is the SMILES notation for 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid?
The canonical SMILES for 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid is CC(CC(C)(C)CNP)C(N)C(=O)O.
What is the InChIKey of 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid?
The InChIKey is NSNZZTRQPKAFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O2P/c1-6(7(10)8(12)13)4-9(2,3)5-11-14/h6-7,11H,4-5,10,14H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid?
2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid has a molecular weight of 220.25 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid is sourced from PubChem (CID 137466268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).