5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid

C14H26N2O3 — CID 82848938

IUPAC5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid
SMILESC=CCN(C(=O)NC(C)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-6-10-16(14(3,4)5)13(19)15-11(2)8-7-9-12(17)18/h6,11H,1,7-10H2,2-5H3,(H,15,19)(H,17,18)
InChIKeyTZNVYRCOKNTUHL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.63
Rot. Bonds7

About 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid

5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848938) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid
PubChem CID82848938
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid
SMILESC=CCN(C(=O)NC(C)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-6-10-16(14(3,4)5)13(19)15-11(2)8-7-9-12(17)18/h6,11H,1,7-10H2,2-5H3,(H,15,19)(H,17,18)
InChIKeyTZNVYRCOKNTUHL-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(pent-4-yn-2-ylcarbamoyl)amino]propanoic acid
CID 113478023
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
(2S)-3-[[tert-butyl(prop-2-enyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107840726
5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 82848088
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79256590
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
CID 82847755
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid (CID 82848938) is 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid is C=CCN(C(=O)NC(C)CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid?
The InChIKey is TZNVYRCOKNTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-10-16(14(3,4)5)13(19)15-11(2)8-7-9-12(17)18/h6,11H,1,7-10H2,2-5H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid?
5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).