5-(tert-butylcarbamoylamino)hexanoic acid

C11H22N2O3 — CID 82854644

IUPAC5-(tert-butylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(6-5-7-9(14)15)12-10(16)13-11(2,3)4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyXDSYVZAZXZYPCA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds5

About 5-(tert-butylcarbamoylamino)hexanoic acid

5-(tert-butylcarbamoylamino)hexanoic acid (PubChem CID 82854644) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)hexanoic acid
PubChem CID82854644
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-(tert-butylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(6-5-7-9(14)15)12-10(16)13-11(2,3)4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyXDSYVZAZXZYPCA-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 114143104
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
5-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848913
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
5-(3-ethylpentan-2-ylcarbamoylamino)hexanoic acid
CID 82848350
5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
CID 82847755
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(tert-butylcarbamoylamino)hexanoic acid (CID 82854644) is 5-(tert-butylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(tert-butylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NC(C)(C)C.
What is the InChIKey of 5-(tert-butylcarbamoylamino)hexanoic acid?
The InChIKey is XDSYVZAZXZYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(6-5-7-9(14)15)12-10(16)13-11(2,3)4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 5-(tert-butylcarbamoylamino)hexanoic acid?
5-(tert-butylcarbamoylamino)hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82854644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).