5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid

C16H31NO3 — CID 89215888

IUPAC5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid
SMILESCC(C)(C)CC(CNC(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-15(2,3)10-12(16(4,5)6)11-17-13(18)8-7-9-14(19)20/h12H,7-11H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyRMXCQDNQBZNGAU-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.46
Rot. Bonds7

About 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid

5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid (PubChem CID 89215888) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid
PubChem CID89215888
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid
SMILESCC(C)(C)CC(CNC(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-15(2,3)10-12(16(4,5)6)11-17-13(18)8-7-9-14(19)20/h12H,7-11H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyRMXCQDNQBZNGAU-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
CID 90470587
4-[(2-hydroxy-4,4-dimethylpentyl)carbamoylamino]butanoic acid
CID 122023225
5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid
CID 54867611
N-(2-chloro-4,4-dimethylpentyl)heptanamide
CID 107156793
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid (CID 89215888) is 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid is CC(C)(C)CC(CNC(=O)CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid?
The InChIKey is RMXCQDNQBZNGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-15(2,3)10-12(16(4,5)6)11-17-13(18)8-7-9-14(19)20/h12H,7-11H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid?
5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 89215888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).