2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid

C13H26N2O3 — CID 61161778

IUPAC2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NCCC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2,3)10(11(17)18)15-9(16)7-8-14-13(4,5)6/h10,14H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyWABCBOSWINAEOD-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.38
Rot. Bonds5

About 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid

2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid (PubChem CID 61161778) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
PubChem CID61161778
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NCCC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2,3)10(11(17)18)15-9(16)7-8-14-13(4,5)6/h10,14H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyWABCBOSWINAEOD-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 103927366
(2S)-2-(3-acetamidopropanoylamino)-3,3-dimethylbutanoic acid
CID 61144264
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118
3,3-dimethyl-2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161007
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880
(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 103926333
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
2-(3-ethylsulfanylpropanoylamino)-3,3-dimethylbutanoic acid
CID 115730734
(2R)-2-[3-(tert-butylamino)propanoylamino]hexanedioic acid
CID 107835658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid (CID 61161778) is 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)NCCC(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is WABCBOSWINAEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)10(11(17)18)15-9(16)7-8-14-13(4,5)6/h10,14H,7-8H2,1-6H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid?
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61161778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).