3-amino-4-(tert-butylamino)butanoic acid

C8H18N2O2 — CID 105435857

IUPAC3-amino-4-(tert-butylamino)butanoic acid
SMILESCC(C)(C)NCC(N)CC(=O)O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10-5-6(9)4-7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)
InChIKeyNBBLQUHRQQMKRK-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-4-(tert-butylamino)butanoic acid

3-amino-4-(tert-butylamino)butanoic acid (PubChem CID 105435857) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-4-(tert-butylamino)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(tert-butylamino)butanoic acid
PubChem CID105435857
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-4-(tert-butylamino)butanoic acid
SMILESCC(C)(C)NCC(N)CC(=O)O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10-5-6(9)4-7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)
InChIKeyNBBLQUHRQQMKRK-UHFFFAOYSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(tert-butylamino)butanoic acid?
The IUPAC name of 3-amino-4-(tert-butylamino)butanoic acid (CID 105435857) is 3-amino-4-(tert-butylamino)butanoic acid.
What is the SMILES notation for 3-amino-4-(tert-butylamino)butanoic acid?
The canonical SMILES for 3-amino-4-(tert-butylamino)butanoic acid is CC(C)(C)NCC(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(tert-butylamino)butanoic acid?
The InChIKey is NBBLQUHRQQMKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)10-5-6(9)4-7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-4-(tert-butylamino)butanoic acid?
3-amino-4-(tert-butylamino)butanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(tert-butylamino)butanoic acid is sourced from PubChem (CID 105435857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).