2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate

C9H20N2O2 — CID 139681730

IUPAC2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
SMILESCCC(C)(N)OC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-5-9(4,11)13-8(12)7(10)6(2)3/h6-7H,5,10-11H2,1-4H3/t7-,9?/m0/s1
InChIKeyNPAWBRNJBLGZSS-JAVCKPHESA-N
MW188.27 g/mol
LogP0.60
Rot. Bonds4

About 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate

2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate (PubChem CID 139681730) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
PubChem CID139681730
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
SMILESCCC(C)(N)OC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-5-9(4,11)13-8(12)7(10)6(2)3/h6-7H,5,10-11H2,1-4H3/t7-,9?/m0/s1
InChIKeyNPAWBRNJBLGZSS-JAVCKPHESA-N
XLogP0.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate
CID 139681724
[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
CID 170203157
2-aminobutan-2-yl (2S)-2,6-diaminohexanoate
CID 139681735
2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
CID 102466999
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
tert-butyl 2-amino-3-methylbutanoate;oxolane
CID 174650975
[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate
CID 168989113
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
2-methylbutan-2-yl 2-chloropropanoate
CID 523714
[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate
CID 137495012
amino (2R)-2-amino-3-methylbutanoate
CID 135308017

Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate?
The IUPAC name of 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate (CID 139681730) is 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate is CCC(C)(N)OC(=O)[C@@H](N)C(C)C.
What is the InChIKey of 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate?
The InChIKey is NPAWBRNJBLGZSS-JAVCKPHESA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-9(4,11)13-8(12)7(10)6(2)3/h6-7H,5,10-11H2,1-4H3/t7-,9?/m0/s1.
What are the key properties of 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate?
2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate has a molecular weight of 188.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 139681730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).