methyl 3-amino-4-(tert-butylamino)butanoate

C9H20N2O2 — CID 105443253

IUPACmethyl 3-amino-4-(tert-butylamino)butanoate
SMILESCOC(=O)CC(N)CNC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)11-6-7(10)5-8(12)13-4/h7,11H,5-6,10H2,1-4H3
InChIKeyFDGKRDXHUYQIAG-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.26
Rot. Bonds4

About methyl 3-amino-4-(tert-butylamino)butanoate

methyl 3-amino-4-(tert-butylamino)butanoate (PubChem CID 105443253) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 3-amino-4-(tert-butylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-amino-4-(tert-butylamino)butanoate
PubChem CID105443253
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl 3-amino-4-(tert-butylamino)butanoate
SMILESCOC(=O)CC(N)CNC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)11-6-7(10)5-8(12)13-4/h7,11H,5-6,10H2,1-4H3
InChIKeyFDGKRDXHUYQIAG-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(tert-butylamino)-3-methylbutanoate
CID 13402644
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
dimethyl 3,7,11,15-tetraamino-5,9,13-trihydroxyheptadecanedioate
CID 57204139
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl 3-amino-4-propan-2-yloxybutanoate
CID 116821262
methyl 3-amino-4-ethoxybutanoate
CID 116821263
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(tert-butylamino)butanoate?
The IUPAC name of methyl 3-amino-4-(tert-butylamino)butanoate (CID 105443253) is methyl 3-amino-4-(tert-butylamino)butanoate.
What is the SMILES notation for methyl 3-amino-4-(tert-butylamino)butanoate?
The canonical SMILES for methyl 3-amino-4-(tert-butylamino)butanoate is COC(=O)CC(N)CNC(C)(C)C.
What is the InChIKey of methyl 3-amino-4-(tert-butylamino)butanoate?
The InChIKey is FDGKRDXHUYQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)11-6-7(10)5-8(12)13-4/h7,11H,5-6,10H2,1-4H3.
What are the key properties of methyl 3-amino-4-(tert-butylamino)butanoate?
methyl 3-amino-4-(tert-butylamino)butanoate has a molecular weight of 188.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(tert-butylamino)butanoate is sourced from PubChem (CID 105443253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).