5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid

C13H25NO3 — CID 60662142

IUPAC5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
SMILESCCCCN(C(=O)CCCC(=O)O)C(C)CC
InChIInChI=1S/C13H25NO3/c1-4-6-10-14(11(3)5-2)12(15)8-7-9-13(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyYBFAHUNBVLTGJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds9

About 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid

5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid (PubChem CID 60662142) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
PubChem CID60662142
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
SMILESCCCCN(C(=O)CCCC(=O)O)C(C)CC
InChIInChI=1S/C13H25NO3/c1-4-6-10-14(11(3)5-2)12(15)8-7-9-13(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyYBFAHUNBVLTGJL-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
CID 65290924
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
butyl(propan-2-yl)carbamic acid
CID 87287717

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid (CID 60662142) is 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid is CCCCN(C(=O)CCCC(=O)O)C(C)CC.
What is the InChIKey of 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid?
The InChIKey is YBFAHUNBVLTGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-10-14(11(3)5-2)12(15)8-7-9-13(16)17/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid?
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 60662142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).