methyl 2-amino-4-methylpentanoate;phosphoric acid

C7H18NO6P — CID 175229624

IUPACmethyl 2-amino-4-methylpentanoate;phosphoric acid
SMILESCOC(=O)C(N)CC(C)C.O=P(O)(O)O
InChIInChI=1S/C7H15NO2.H3O4P/c1-5(2)4-6(8)7(9)10-3;1-5(2,3)4/h5-6H,4,8H2,1-3H3;(H3,1,2,3,4)
InChIKeyDIUCFOBLFLZGQP-UHFFFAOYSA-N
MW243.20 g/mol
LogP-0.40
Rot. Bonds3

About methyl 2-amino-4-methylpentanoate;phosphoric acid

methyl 2-amino-4-methylpentanoate;phosphoric acid (PubChem CID 175229624) has the molecular formula C7H18NO6P and a molecular weight of 243.20 g/mol. Its IUPAC name is methyl 2-amino-4-methylpentanoate;phosphoric acid.

Molecular Properties

Compound Namemethyl 2-amino-4-methylpentanoate;phosphoric acid
PubChem CID175229624
Molecular FormulaC7H18NO6P
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-amino-4-methylpentanoate;phosphoric acid
SMILESCOC(=O)C(N)CC(C)C.O=P(O)(O)O
InChIInChI=1S/C7H15NO2.H3O4P/c1-5(2)4-6(8)7(9)10-3;1-5(2,3)4/h5-6H,4,8H2,1-3H3;(H3,1,2,3,4)
InChIKeyDIUCFOBLFLZGQP-UHFFFAOYSA-N
XLogP-0.40
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethenyl-methoxyphosphinic acid
CID 146037078
tetrakis(amino-[(2R)-2-amino-4-methylpentanoyl]oxyphosphinate);tin(4+)
CID 175759936
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
dimethyl (2R)-2-aminobutanedioate
CID 6994535
(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate
CID 131724020
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methylpentanoate;phosphoric acid?
The IUPAC name of methyl 2-amino-4-methylpentanoate;phosphoric acid (CID 175229624) is methyl 2-amino-4-methylpentanoate;phosphoric acid.
What is the SMILES notation for methyl 2-amino-4-methylpentanoate;phosphoric acid?
The canonical SMILES for methyl 2-amino-4-methylpentanoate;phosphoric acid is COC(=O)C(N)CC(C)C.O=P(O)(O)O.
What is the InChIKey of methyl 2-amino-4-methylpentanoate;phosphoric acid?
The InChIKey is DIUCFOBLFLZGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.H3O4P/c1-5(2)4-6(8)7(9)10-3;1-5(2,3)4/h5-6H,4,8H2,1-3H3;(H3,1,2,3,4).
What are the key properties of methyl 2-amino-4-methylpentanoate;phosphoric acid?
methyl 2-amino-4-methylpentanoate;phosphoric acid has a molecular weight of 243.20 g/mol, XLogP of -0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methylpentanoate;phosphoric acid is sourced from PubChem (CID 175229624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).