3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid

C11H22N2O3 — CID 61159547

IUPAC3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid
SMILESCCC(N)C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-8(12)10(16)13(11(2,3)4)7-6-9(14)15/h8H,5-7,12H2,1-4H3,(H,14,15)
InChIKeyWQABCNODPQWTNF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds5

About 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid

3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid (PubChem CID 61159547) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid
PubChem CID61159547
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid
SMILESCCC(N)C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-8(12)10(16)13(11(2,3)4)7-6-9(14)15/h8H,5-7,12H2,1-4H3,(H,14,15)
InChIKeyWQABCNODPQWTNF-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-4-methylpentanoyl]-tert-butylamino]propanoic acid
CID 61161091
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]-tert-butylamino]propanoic acid
CID 61161090
3-[[(2S)-2-amino-3-methylbutanoyl]-tert-butylamino]propanoic acid
CID 61161092
3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid
CID 61161087
3-[(2-acetamido-3-methylbutanoyl)-tert-butylamino]propanoic acid
CID 60825146
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
3-[tert-butyl-[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 113426183
3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
CID 63832684
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
CID 65464697
3-[N-(2-aminobutanoyl)-4-methylanilino]propanoic acid
CID 61162035
(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid
CID 18605764
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid?
The IUPAC name of 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid (CID 61159547) is 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid?
The canonical SMILES for 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid is CCC(N)C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid?
The InChIKey is WQABCNODPQWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(12)10(16)13(11(2,3)4)7-6-9(14)15/h8H,5-7,12H2,1-4H3,(H,14,15).
What are the key properties of 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid?
3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid is sourced from PubChem (CID 61159547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).