2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid

C13H25NO3 — CID 170086164

IUPAC2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid
SMILESCC(C)C(C)C(CC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-8(2)9(3)10(12(16)17)7-11(15)14-13(4,5)6/h8-10H,7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyGJKYTQNRCHPOGB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid

2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid (PubChem CID 170086164) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid
PubChem CID170086164
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid
SMILESCC(C)C(C)C(CC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-8(2)9(3)10(12(16)17)7-11(15)14-13(4,5)6/h8-10H,7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyGJKYTQNRCHPOGB-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(tert-butylamino)-4-oxo-2-sulfanylbutanoic acid
CID 129098634
4-(tert-butylamino)-2-(hydroxymethyl)-4-oxobutanoic acid
CID 155618310
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 59180579
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 115356620
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid (CID 170086164) is 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid is CC(C)C(C)C(CC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid?
The InChIKey is GJKYTQNRCHPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-8(2)9(3)10(12(16)17)7-11(15)14-13(4,5)6/h8-10H,7H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid?
2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid is sourced from PubChem (CID 170086164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).