2,4-diamino-2-(methoxymethyl)butanoic acid

C6H14N2O3 — CID 19800437

IUPAC2,4-diamino-2-(methoxymethyl)butanoic acid
SMILESCOCC(N)(CCN)C(=O)O
InChIInChI=1S/C6H14N2O3/c1-11-4-6(8,2-3-7)5(9)10/h2-4,7-8H2,1H3,(H,9,10)
InChIKeyGVRDDCZOTPOENO-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.24
Rot. Bonds5

About 2,4-diamino-2-(methoxymethyl)butanoic acid

2,4-diamino-2-(methoxymethyl)butanoic acid (PubChem CID 19800437) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,4-diamino-2-(methoxymethyl)butanoic acid.

Molecular Properties

Compound Name2,4-diamino-2-(methoxymethyl)butanoic acid
PubChem CID19800437
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2,4-diamino-2-(methoxymethyl)butanoic acid
SMILESCOCC(N)(CCN)C(=O)O
InChIInChI=1S/C6H14N2O3/c1-11-4-6(8,2-3-7)5(9)10/h2-4,7-8H2,1H3,(H,9,10)
InChIKeyGVRDDCZOTPOENO-UHFFFAOYSA-N
XLogP-1.24
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
CID 174849026
(2R)-2-amino-2-[2-(2-aminoethylideneamino)ethylsulfanylmethyl]-3-methoxypropanoic acid
CID 90922670
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
methyl 2,5-diamino-2-hydroxypentanoate
CID 139916630
2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
CID 14231035
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
dimethyl 2,2-bis(3-aminopropyl)propanedioate;dihydrochloride
CID 22364631
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-2-(methoxymethyl)butanoic acid?
The IUPAC name of 2,4-diamino-2-(methoxymethyl)butanoic acid (CID 19800437) is 2,4-diamino-2-(methoxymethyl)butanoic acid.
What is the SMILES notation for 2,4-diamino-2-(methoxymethyl)butanoic acid?
The canonical SMILES for 2,4-diamino-2-(methoxymethyl)butanoic acid is COCC(N)(CCN)C(=O)O.
What is the InChIKey of 2,4-diamino-2-(methoxymethyl)butanoic acid?
The InChIKey is GVRDDCZOTPOENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-11-4-6(8,2-3-7)5(9)10/h2-4,7-8H2,1H3,(H,9,10).
What are the key properties of 2,4-diamino-2-(methoxymethyl)butanoic acid?
2,4-diamino-2-(methoxymethyl)butanoic acid has a molecular weight of 162.19 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-2-(methoxymethyl)butanoic acid is sourced from PubChem (CID 19800437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).