2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid

C15H28N4O2 — CID 170196934

IUPAC2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid
SMILESCC(C)(C)Cc1cnnn1CCC(NC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N4O2/c1-14(2,3)9-11-10-16-18-19(11)8-7-12(13(20)21)17-15(4,5)6/h10,12,17H,7-9H2,1-6H3,(H,20,21)
InChIKeyYVDILBAWTJPATM-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.10
Rot. Bonds6

About 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid

2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid (PubChem CID 170196934) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid
PubChem CID170196934
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid
SMILESCC(C)(C)Cc1cnnn1CCC(NC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N4O2/c1-14(2,3)9-11-10-16-18-19(11)8-7-12(13(20)21)17-15(4,5)6/h10,12,17H,7-9H2,1-6H3,(H,20,21)
InChIKeyYVDILBAWTJPATM-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(hydroxymethyl)triazol-1-yl]-4,4-dimethylpentan-3-one
CID 177087440
(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid
CID 167342932
2-amino-2-[(3-octadecyltriazol-4-yl)methyl]propane-1,3-diol
CID 172966629
1,5-bis(3-methylbutyl)triazole
CID 122630242
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
[3-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208466
4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
CID 80541585
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid
CID 54041640

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid?
The IUPAC name of 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid (CID 170196934) is 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid.
What is the SMILES notation for 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid?
The canonical SMILES for 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid is CC(C)(C)Cc1cnnn1CCC(NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid?
The InChIKey is YVDILBAWTJPATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-14(2,3)9-11-10-16-18-19(11)8-7-12(13(20)21)17-15(4,5)6/h10,12,17H,7-9H2,1-6H3,(H,20,21).
What are the key properties of 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid?
2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid has a molecular weight of 296.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-[5-(2,2-dimethylpropyl)triazol-1-yl]butanoic acid is sourced from PubChem (CID 170196934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).