amino (2R)-2-amino-3-methylbutanoate

C5H12N2O2 — CID 135308017

IUPACamino (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)ON
InChIInChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)9-7/h3-4H,6-7H2,1-2H3/t4-/m1/s1
InChIKeyMKHRZEJIRINSAC-SCSAIBSYSA-N
MW132.16 g/mol
LogP-0.61
Rot. Bonds2

About amino (2R)-2-amino-3-methylbutanoate

amino (2R)-2-amino-3-methylbutanoate (PubChem CID 135308017) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is amino (2R)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Nameamino (2R)-2-amino-3-methylbutanoate
PubChem CID135308017
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameamino (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)ON
InChIInChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)9-7/h3-4H,6-7H2,1-2H3/t4-/m1/s1
InChIKeyMKHRZEJIRINSAC-SCSAIBSYSA-N
XLogP-0.61
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
iodo 2-amino-3-methylbutanoate
CID 76549706
sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride
CID 174873015
diamino 2,3-dimethylbutanedioate
CID 22892701
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
CID 54208799
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
CID 175062264
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890

Frequently Asked Questions

What is the IUPAC name of amino (2R)-2-amino-3-methylbutanoate?
The IUPAC name of amino (2R)-2-amino-3-methylbutanoate (CID 135308017) is amino (2R)-2-amino-3-methylbutanoate.
What is the SMILES notation for amino (2R)-2-amino-3-methylbutanoate?
The canonical SMILES for amino (2R)-2-amino-3-methylbutanoate is CC(C)[C@@H](N)C(=O)ON.
What is the InChIKey of amino (2R)-2-amino-3-methylbutanoate?
The InChIKey is MKHRZEJIRINSAC-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)9-7/h3-4H,6-7H2,1-2H3/t4-/m1/s1.
What are the key properties of amino (2R)-2-amino-3-methylbutanoate?
amino (2R)-2-amino-3-methylbutanoate has a molecular weight of 132.16 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2R)-2-amino-3-methylbutanoate is sourced from PubChem (CID 135308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).